USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 51 SER OG : rot -162:sc= 1.09 USER MOD Set 1.2: C 54 THR OG1 : rot 130:sc= 1.26 USER MOD Single : C 13 TYR OH : rot 176:sc= -0.215 USER MOD Single : C 14 LYS NZ :NH3+ 168:sc= -0.0165 (180deg=-0.19) USER MOD Single : C 20 TYR OH : rot 180:sc= 0 USER MOD Single : C 22 SER OG : rot 180:sc= 0 USER MOD Single : C 27 LYS NZ :NH3+ -143:sc= 1.16 (180deg=0.838) USER MOD Single : C 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 31 TYR OH : rot 30:sc= -0.0327 USER MOD Single : C 33 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : C 36 SER OG : rot 92:sc= 1.29 USER MOD Single : C 38 ASN :FLIP amide:sc= -1.48 F(o=-4.1!,f=-1.5) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 GLN : amide:sc= 0.708 K(o=0.71,f=-0.25) USER MOD Single : C 49 TYR OH : rot -116:sc= 0.669 USER MOD Single : C 50 MET CE :methyl 165:sc= -0.0779 (180deg=-0.492) USER MOD Single : C 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 65 TYR OH : rot 180:sc= 0 USER MOD Single : C 69 SER OG : rot -174:sc= 0.572 USER MOD Single : C 70 GLN : amide:sc= 0.396 K(o=0.4,f=-1) USER MOD Single : C 71 TYR OH : rot 180:sc= 0 USER MOD Single : C 76 TYR OH : rot 180:sc= 0 USER MOD Single : C 77 MET CE :methyl -125:sc= -2.98! (180deg=-3.85!) USER MOD Single : C 78 SER OG : rot 180:sc= 0.339 USER MOD Single : C 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 80 THR OG1 : rot 180:sc= -0.91 USER MOD Single : C 85 ASN : amide:sc= 1.14 K(o=1.1,f=-0.028) USER MOD Single : C 86 TYR OH : rot 180:sc= 0 USER MOD Single : C 87 THR OG1 : rot 20:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 167 N LEU C 12 3.485 5.688 -3.342 1.00 0.00 N ATOM 168 CA LEU C 12 3.214 6.210 -2.010 1.00 0.00 C ATOM 169 C LEU C 12 1.989 5.522 -1.443 1.00 0.00 C ATOM 170 O LEU C 12 0.969 5.401 -2.119 1.00 0.00 O ATOM 171 CB LEU C 12 2.987 7.733 -2.029 1.00 0.00 C ATOM 172 CG LEU C 12 4.233 8.618 -1.859 1.00 0.00 C ATOM 173 CD1 LEU C 12 5.009 8.229 -0.610 1.00 0.00 C ATOM 174 CD2 LEU C 12 5.129 8.556 -3.085 1.00 0.00 C ATOM 0 HA LEU C 12 4.084 6.011 -1.385 1.00 0.00 H new ATOM 0 HB2 LEU C 12 2.510 7.994 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU C 12 2.282 7.982 -1.236 1.00 0.00 H new ATOM 0 HG LEU C 12 3.891 9.647 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU C 12 5.886 8.869 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU C 12 4.372 8.349 0.266 1.00 0.00 H new ATOM 0 HD13 LEU C 12 5.326 7.189 -0.688 1.00 0.00 H new ATOM 0 HD21 LEU C 12 6.000 9.193 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU C 12 5.455 7.528 -3.246 1.00 0.00 H new ATOM 0 HD23 LEU C 12 4.576 8.902 -3.958 1.00 0.00 H new ATOM 186 N TYR C 13 2.090 5.075 -0.208 1.00 0.00 N ATOM 187 CA TYR C 13 1.014 4.329 0.416 1.00 0.00 C ATOM 188 C TYR C 13 0.102 5.261 1.196 1.00 0.00 C ATOM 189 O TYR C 13 0.580 6.204 1.832 1.00 0.00 O ATOM 190 CB TYR C 13 1.592 3.269 1.346 1.00 0.00 C ATOM 191 CG TYR C 13 2.633 2.385 0.695 1.00 0.00 C ATOM 192 CD1 TYR C 13 2.284 1.476 -0.291 1.00 0.00 C ATOM 193 CD2 TYR C 13 3.963 2.449 1.078 1.00 0.00 C ATOM 194 CE1 TYR C 13 3.229 0.657 -0.873 1.00 0.00 C ATOM 195 CE2 TYR C 13 4.912 1.637 0.498 1.00 0.00 C ATOM 196 CZ TYR C 13 4.540 0.740 -0.476 1.00 0.00 C ATOM 197 OH TYR C 13 5.483 -0.076 -1.058 1.00 0.00 O ATOM 0 H TYR C 13 2.908 5.215 0.385 1.00 0.00 H new ATOM 0 HA TYR C 13 0.428 3.843 -0.364 1.00 0.00 H new ATOM 0 HB2 TYR C 13 2.037 3.762 2.211 1.00 0.00 H new ATOM 0 HB3 TYR C 13 0.780 2.644 1.718 1.00 0.00 H new ATOM 0 HD1 TYR C 13 1.254 1.408 -0.609 1.00 0.00 H new ATOM 0 HD2 TYR C 13 4.261 3.148 1.845 1.00 0.00 H new ATOM 0 HE1 TYR C 13 2.938 -0.047 -1.638 1.00 0.00 H new ATOM 0 HE2 TYR C 13 5.945 1.704 0.807 1.00 0.00 H new ATOM 0 HH TYR C 13 6.371 0.152 -0.712 1.00 0.00 H new ATOM 207 N LYS C 14 -1.208 5.009 1.159 1.00 0.00 N ATOM 208 CA LYS C 14 -2.145 5.862 1.858 1.00 0.00 C ATOM 209 C LYS C 14 -3.129 5.010 2.624 1.00 0.00 C ATOM 210 O LYS C 14 -3.785 4.148 2.049 1.00 0.00 O ATOM 211 CB LYS C 14 -2.890 6.774 0.887 1.00 0.00 C ATOM 212 CG LYS C 14 -1.985 7.713 0.105 1.00 0.00 C ATOM 213 CD LYS C 14 -2.782 8.644 -0.794 1.00 0.00 C ATOM 214 CE LYS C 14 -3.700 9.558 0.005 1.00 0.00 C ATOM 215 NZ LYS C 14 -2.951 10.410 0.968 1.00 0.00 N ATOM 0 H LYS C 14 -1.631 4.229 0.656 1.00 0.00 H new ATOM 0 HA LYS C 14 -1.588 6.492 2.551 1.00 0.00 H new ATOM 0 HB2 LYS C 14 -3.452 6.159 0.185 1.00 0.00 H new ATOM 0 HB3 LYS C 14 -3.616 7.366 1.444 1.00 0.00 H new ATOM 0 HG2 LYS C 14 -1.386 8.302 0.799 1.00 0.00 H new ATOM 0 HG3 LYS C 14 -1.291 7.129 -0.500 1.00 0.00 H new ATOM 0 HD2 LYS C 14 -2.097 9.248 -1.389 1.00 0.00 H new ATOM 0 HD3 LYS C 14 -3.376 8.054 -1.492 1.00 0.00 H new ATOM 0 HE2 LYS C 14 -4.261 10.194 -0.680 1.00 0.00 H new ATOM 0 HE3 LYS C 14 -4.428 8.954 0.547 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 -3.580 11.150 1.339 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 -2.605 9.824 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 -2.144 10.853 0.485 1.00 0.00 H new ATOM 229 N ASP C 15 -3.207 5.231 3.921 1.00 0.00 N ATOM 230 CA ASP C 15 -4.080 4.440 4.772 1.00 0.00 C ATOM 231 C ASP C 15 -5.466 5.093 4.876 1.00 0.00 C ATOM 232 O ASP C 15 -5.803 5.975 4.079 1.00 0.00 O ATOM 233 CB ASP C 15 -3.403 4.217 6.147 1.00 0.00 C ATOM 234 CG ASP C 15 -4.029 4.969 7.311 1.00 0.00 C ATOM 235 OD1 ASP C 15 -4.353 4.308 8.318 1.00 0.00 O ATOM 236 OD2 ASP C 15 -4.237 6.195 7.212 1.00 0.00 O ATOM 0 H ASP C 15 -2.677 5.952 4.411 1.00 0.00 H new ATOM 0 HA ASP C 15 -4.241 3.456 4.331 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -3.421 3.151 6.373 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -2.356 4.509 6.069 1.00 0.00 H new ATOM 241 N ALA C 16 -6.253 4.664 5.851 1.00 0.00 N ATOM 242 CA ALA C 16 -7.644 5.076 5.978 1.00 0.00 C ATOM 243 C ALA C 16 -7.788 6.581 6.220 1.00 0.00 C ATOM 244 O ALA C 16 -8.560 7.249 5.530 1.00 0.00 O ATOM 245 CB ALA C 16 -8.307 4.302 7.125 1.00 0.00 C ATOM 0 H ALA C 16 -5.945 4.019 6.578 1.00 0.00 H new ATOM 0 HA ALA C 16 -8.139 4.850 5.034 1.00 0.00 H new ATOM 0 HB1 ALA C 16 -9.348 4.611 7.219 1.00 0.00 H new ATOM 0 HB2 ALA C 16 -8.264 3.233 6.916 1.00 0.00 H new ATOM 0 HB3 ALA C 16 -7.781 4.511 8.057 1.00 0.00 H new ATOM 251 N ASP C 17 -7.045 7.119 7.185 1.00 0.00 N ATOM 252 CA ASP C 17 -7.267 8.500 7.613 1.00 0.00 C ATOM 253 C ASP C 17 -6.144 9.426 7.166 1.00 0.00 C ATOM 254 O ASP C 17 -6.210 10.643 7.372 1.00 0.00 O ATOM 255 CB ASP C 17 -7.452 8.585 9.134 1.00 0.00 C ATOM 256 CG ASP C 17 -6.174 8.368 9.920 1.00 0.00 C ATOM 257 OD1 ASP C 17 -5.880 7.211 10.278 1.00 0.00 O ATOM 258 OD2 ASP C 17 -5.475 9.361 10.215 1.00 0.00 O ATOM 0 H ASP C 17 -6.297 6.631 7.678 1.00 0.00 H new ATOM 0 HA ASP C 17 -8.185 8.835 7.130 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -7.861 9.563 9.387 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -8.188 7.843 9.443 1.00 0.00 H new ATOM 263 N GLY C 18 -5.117 8.866 6.553 1.00 0.00 N ATOM 264 CA GLY C 18 -4.075 9.699 5.988 1.00 0.00 C ATOM 265 C GLY C 18 -2.686 9.341 6.470 1.00 0.00 C ATOM 266 O GLY C 18 -1.757 10.143 6.357 1.00 0.00 O ATOM 0 H GLY C 18 -4.984 7.862 6.436 1.00 0.00 H new ATOM 0 HA2 GLY C 18 -4.106 9.618 4.901 1.00 0.00 H new ATOM 0 HA3 GLY C 18 -4.279 10.741 6.236 1.00 0.00 H new ATOM 270 N VAL C 19 -2.541 8.147 7.008 1.00 0.00 N ATOM 271 CA VAL C 19 -1.231 7.629 7.370 1.00 0.00 C ATOM 272 C VAL C 19 -0.484 7.241 6.103 1.00 0.00 C ATOM 273 O VAL C 19 -1.057 6.619 5.205 1.00 0.00 O ATOM 274 CB VAL C 19 -1.355 6.407 8.310 1.00 0.00 C ATOM 275 CG1 VAL C 19 -0.016 5.700 8.479 1.00 0.00 C ATOM 276 CG2 VAL C 19 -1.901 6.837 9.663 1.00 0.00 C ATOM 0 H VAL C 19 -3.315 7.513 7.206 1.00 0.00 H new ATOM 0 HA VAL C 19 -0.680 8.404 7.903 1.00 0.00 H new ATOM 0 HB VAL C 19 -2.050 5.702 7.855 1.00 0.00 H new ATOM 0 HG11 VAL C 19 -0.137 4.846 9.145 1.00 0.00 H new ATOM 0 HG12 VAL C 19 0.339 5.355 7.508 1.00 0.00 H new ATOM 0 HG13 VAL C 19 0.710 6.393 8.905 1.00 0.00 H new ATOM 0 HG21 VAL C 19 -1.983 5.967 10.315 1.00 0.00 H new ATOM 0 HG22 VAL C 19 -1.226 7.565 10.113 1.00 0.00 H new ATOM 0 HG23 VAL C 19 -2.885 7.287 9.532 1.00 0.00 H new ATOM 286 N TYR C 20 0.775 7.636 6.003 1.00 0.00 N ATOM 287 CA TYR C 20 1.543 7.341 4.816 1.00 0.00 C ATOM 288 C TYR C 20 2.865 6.676 5.173 1.00 0.00 C ATOM 289 O TYR C 20 3.344 6.755 6.305 1.00 0.00 O ATOM 290 CB TYR C 20 1.784 8.611 3.986 1.00 0.00 C ATOM 291 CG TYR C 20 3.185 9.177 4.080 1.00 0.00 C ATOM 292 CD1 TYR C 20 3.561 10.015 5.123 1.00 0.00 C ATOM 293 CD2 TYR C 20 4.133 8.862 3.118 1.00 0.00 C ATOM 294 CE1 TYR C 20 4.846 10.519 5.201 1.00 0.00 C ATOM 295 CE2 TYR C 20 5.414 9.359 3.189 1.00 0.00 C ATOM 296 CZ TYR C 20 5.769 10.187 4.232 1.00 0.00 C ATOM 297 OH TYR C 20 7.050 10.684 4.305 1.00 0.00 O ATOM 0 H TYR C 20 1.277 8.155 6.723 1.00 0.00 H new ATOM 0 HA TYR C 20 0.964 6.644 4.210 1.00 0.00 H new ATOM 0 HB2 TYR C 20 1.566 8.391 2.941 1.00 0.00 H new ATOM 0 HB3 TYR C 20 1.076 9.376 4.305 1.00 0.00 H new ATOM 0 HD1 TYR C 20 2.839 10.276 5.883 1.00 0.00 H new ATOM 0 HD2 TYR C 20 3.861 8.214 2.298 1.00 0.00 H new ATOM 0 HE1 TYR C 20 5.125 11.169 6.017 1.00 0.00 H new ATOM 0 HE2 TYR C 20 6.138 9.101 2.431 1.00 0.00 H new ATOM 0 HH TYR C 20 7.573 10.353 3.546 1.00 0.00 H new ATOM 307 N VAL C 21 3.428 6.032 4.182 1.00 0.00 N ATOM 308 CA VAL C 21 4.698 5.330 4.292 1.00 0.00 C ATOM 309 C VAL C 21 5.372 5.349 2.925 1.00 0.00 C ATOM 310 O VAL C 21 4.708 5.195 1.901 1.00 0.00 O ATOM 311 CB VAL C 21 4.502 3.883 4.843 1.00 0.00 C ATOM 312 CG1 VAL C 21 3.156 3.308 4.438 1.00 0.00 C ATOM 313 CG2 VAL C 21 5.611 2.943 4.393 1.00 0.00 C ATOM 0 H VAL C 21 3.013 5.975 3.252 1.00 0.00 H new ATOM 0 HA VAL C 21 5.344 5.832 5.012 1.00 0.00 H new ATOM 0 HB VAL C 21 4.540 3.965 5.929 1.00 0.00 H new ATOM 0 HG11 VAL C 21 3.055 2.300 4.840 1.00 0.00 H new ATOM 0 HG12 VAL C 21 2.358 3.937 4.833 1.00 0.00 H new ATOM 0 HG13 VAL C 21 3.087 3.274 3.351 1.00 0.00 H new ATOM 0 HG21 VAL C 21 5.432 1.948 4.801 1.00 0.00 H new ATOM 0 HG22 VAL C 21 5.625 2.892 3.304 1.00 0.00 H new ATOM 0 HG23 VAL C 21 6.571 3.315 4.751 1.00 0.00 H new ATOM 323 N SER C 22 6.672 5.607 2.906 1.00 0.00 N ATOM 324 CA SER C 22 7.398 5.754 1.651 1.00 0.00 C ATOM 325 C SER C 22 7.704 4.390 1.048 1.00 0.00 C ATOM 326 O SER C 22 7.845 3.410 1.772 1.00 0.00 O ATOM 327 CB SER C 22 8.685 6.540 1.888 1.00 0.00 C ATOM 328 OG SER C 22 8.399 7.796 2.486 1.00 0.00 O ATOM 0 H SER C 22 7.245 5.719 3.742 1.00 0.00 H new ATOM 0 HA SER C 22 6.776 6.303 0.944 1.00 0.00 H new ATOM 0 HB2 SER C 22 9.354 5.968 2.531 1.00 0.00 H new ATOM 0 HB3 SER C 22 9.205 6.691 0.942 1.00 0.00 H new ATOM 0 HG SER C 22 9.235 8.286 2.633 1.00 0.00 H new ATOM 334 N ALA C 23 7.803 4.335 -0.274 1.00 0.00 N ATOM 335 CA ALA C 23 8.032 3.086 -0.973 1.00 0.00 C ATOM 336 C ALA C 23 9.328 3.145 -1.753 1.00 0.00 C ATOM 337 O ALA C 23 9.562 4.083 -2.515 1.00 0.00 O ATOM 338 CB ALA C 23 6.881 2.791 -1.916 1.00 0.00 C ATOM 0 H ALA C 23 7.727 5.149 -0.884 1.00 0.00 H new ATOM 0 HA ALA C 23 8.100 2.288 -0.233 1.00 0.00 H new ATOM 0 HB1 ALA C 23 7.067 1.850 -2.434 1.00 0.00 H new ATOM 0 HB2 ALA C 23 5.955 2.715 -1.347 1.00 0.00 H new ATOM 0 HB3 ALA C 23 6.793 3.596 -2.646 1.00 0.00 H new ATOM 344 N LEU C 24 10.174 2.153 -1.555 1.00 0.00 N ATOM 345 CA LEU C 24 11.422 2.073 -2.306 1.00 0.00 C ATOM 346 C LEU C 24 11.297 0.981 -3.363 1.00 0.00 C ATOM 347 O LEU C 24 11.322 -0.204 -3.034 1.00 0.00 O ATOM 348 CB LEU C 24 12.639 1.771 -1.409 1.00 0.00 C ATOM 349 CG LEU C 24 12.630 2.340 0.019 1.00 0.00 C ATOM 350 CD1 LEU C 24 14.012 2.210 0.642 1.00 0.00 C ATOM 351 CD2 LEU C 24 12.172 3.788 0.048 1.00 0.00 C ATOM 0 H LEU C 24 10.027 1.395 -0.888 1.00 0.00 H new ATOM 0 HA LEU C 24 11.590 3.047 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU C 24 12.744 0.688 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU C 24 13.530 2.145 -1.914 1.00 0.00 H new ATOM 0 HG LEU C 24 11.915 1.760 0.603 1.00 0.00 H new ATOM 0 HD11 LEU C 24 13.995 2.616 1.653 1.00 0.00 H new ATOM 0 HD12 LEU C 24 14.298 1.159 0.678 1.00 0.00 H new ATOM 0 HD13 LEU C 24 14.735 2.762 0.042 1.00 0.00 H new ATOM 0 HD21 LEU C 24 12.180 4.152 1.076 1.00 0.00 H new ATOM 0 HD22 LEU C 24 12.846 4.395 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU C 24 11.161 3.858 -0.354 1.00 0.00 H new ATOM 363 N PRO C 25 11.145 1.350 -4.644 1.00 0.00 N ATOM 364 CA PRO C 25 10.969 0.373 -5.719 1.00 0.00 C ATOM 365 C PRO C 25 12.232 -0.447 -5.936 1.00 0.00 C ATOM 366 O PRO C 25 13.270 0.089 -6.323 1.00 0.00 O ATOM 367 CB PRO C 25 10.660 1.227 -6.955 1.00 0.00 C ATOM 368 CG PRO C 25 10.385 2.601 -6.439 1.00 0.00 C ATOM 369 CD PRO C 25 11.153 2.727 -5.156 1.00 0.00 C ATOM 0 HA PRO C 25 10.182 -0.347 -5.494 1.00 0.00 H new ATOM 0 HB2 PRO C 25 11.501 1.230 -7.649 1.00 0.00 H new ATOM 0 HB3 PRO C 25 9.801 0.833 -7.498 1.00 0.00 H new ATOM 0 HG2 PRO C 25 10.701 3.357 -7.158 1.00 0.00 H new ATOM 0 HG3 PRO C 25 9.318 2.747 -6.270 1.00 0.00 H new ATOM 0 HD2 PRO C 25 12.166 3.092 -5.324 1.00 0.00 H new ATOM 0 HD3 PRO C 25 10.675 3.420 -4.464 1.00 0.00 H new ATOM 377 N ILE C 26 12.144 -1.740 -5.678 1.00 0.00 N ATOM 378 CA ILE C 26 13.305 -2.609 -5.757 1.00 0.00 C ATOM 379 C ILE C 26 13.604 -2.958 -7.209 1.00 0.00 C ATOM 380 O ILE C 26 12.829 -3.656 -7.863 1.00 0.00 O ATOM 381 CB ILE C 26 13.090 -3.907 -4.948 1.00 0.00 C ATOM 382 CG1 ILE C 26 12.552 -3.573 -3.549 1.00 0.00 C ATOM 383 CG2 ILE C 26 14.396 -4.687 -4.853 1.00 0.00 C ATOM 384 CD1 ILE C 26 12.185 -4.785 -2.716 1.00 0.00 C ATOM 0 H ILE C 26 11.280 -2.212 -5.412 1.00 0.00 H new ATOM 0 HA ILE C 26 14.151 -2.072 -5.329 1.00 0.00 H new ATOM 0 HB ILE C 26 12.355 -4.529 -5.460 1.00 0.00 H new ATOM 0 HG12 ILE C 26 13.303 -2.992 -3.013 1.00 0.00 H new ATOM 0 HG13 ILE C 26 11.672 -2.938 -3.653 1.00 0.00 H new ATOM 0 HG21 ILE C 26 14.234 -5.600 -4.281 1.00 0.00 H new ATOM 0 HG22 ILE C 26 14.741 -4.943 -5.855 1.00 0.00 H new ATOM 0 HG23 ILE C 26 15.149 -4.076 -4.355 1.00 0.00 H new ATOM 0 HD11 ILE C 26 11.814 -4.460 -1.744 1.00 0.00 H new ATOM 0 HD12 ILE C 26 11.410 -5.357 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE C 26 13.066 -5.411 -2.577 1.00 0.00 H new ATOM 396 N LYS C 27 14.722 -2.453 -7.709 1.00 0.00 N ATOM 397 CA LYS C 27 15.107 -2.661 -9.095 1.00 0.00 C ATOM 398 C LYS C 27 15.866 -3.971 -9.261 1.00 0.00 C ATOM 399 O LYS C 27 15.406 -4.883 -9.947 1.00 0.00 O ATOM 400 CB LYS C 27 15.950 -1.480 -9.588 1.00 0.00 C ATOM 401 CG LYS C 27 16.581 -1.698 -10.957 1.00 0.00 C ATOM 402 CD LYS C 27 17.199 -0.413 -11.482 1.00 0.00 C ATOM 403 CE LYS C 27 17.918 -0.629 -12.804 1.00 0.00 C ATOM 404 NZ LYS C 27 19.053 -1.579 -12.669 1.00 0.00 N ATOM 0 H LYS C 27 15.382 -1.892 -7.170 1.00 0.00 H new ATOM 0 HA LYS C 27 14.202 -2.723 -9.699 1.00 0.00 H new ATOM 0 HB2 LYS C 27 15.322 -0.590 -9.626 1.00 0.00 H new ATOM 0 HB3 LYS C 27 16.739 -1.283 -8.863 1.00 0.00 H new ATOM 0 HG2 LYS C 27 17.345 -2.472 -10.890 1.00 0.00 H new ATOM 0 HG3 LYS C 27 15.826 -2.055 -11.657 1.00 0.00 H new ATOM 0 HD2 LYS C 27 16.420 0.338 -11.611 1.00 0.00 H new ATOM 0 HD3 LYS C 27 17.901 -0.021 -10.746 1.00 0.00 H new ATOM 0 HE2 LYS C 27 17.213 -1.009 -13.543 1.00 0.00 H new ATOM 0 HE3 LYS C 27 18.287 0.326 -13.177 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 19.839 -1.270 -13.277 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 19.370 -1.603 -11.679 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 18.746 -2.530 -12.957 1.00 0.00 H new ATOM 418 N ALA C 28 17.022 -4.060 -8.626 1.00 0.00 N ATOM 419 CA ALA C 28 17.860 -5.243 -8.716 1.00 0.00 C ATOM 420 C ALA C 28 18.816 -5.283 -7.539 1.00 0.00 C ATOM 421 O ALA C 28 19.079 -4.255 -6.917 1.00 0.00 O ATOM 422 CB ALA C 28 18.632 -5.252 -10.029 1.00 0.00 C ATOM 0 H ALA C 28 17.404 -3.320 -8.037 1.00 0.00 H new ATOM 0 HA ALA C 28 17.226 -6.129 -8.689 1.00 0.00 H new ATOM 0 HB1 ALA C 28 19.254 -6.145 -10.079 1.00 0.00 H new ATOM 0 HB2 ALA C 28 17.931 -5.251 -10.863 1.00 0.00 H new ATOM 0 HB3 ALA C 28 19.264 -4.366 -10.085 1.00 0.00 H new ATOM 428 N ILE C 29 19.325 -6.457 -7.221 1.00 0.00 N ATOM 429 CA ILE C 29 20.249 -6.586 -6.111 1.00 0.00 C ATOM 430 C ILE C 29 21.613 -7.021 -6.594 1.00 0.00 C ATOM 431 O ILE C 29 21.750 -7.955 -7.382 1.00 0.00 O ATOM 432 CB ILE C 29 19.738 -7.571 -5.030 1.00 0.00 C ATOM 433 CG1 ILE C 29 18.454 -7.046 -4.394 1.00 0.00 C ATOM 434 CG2 ILE C 29 20.797 -7.786 -3.954 1.00 0.00 C ATOM 435 CD1 ILE C 29 17.665 -8.108 -3.663 1.00 0.00 C ATOM 0 H ILE C 29 19.117 -7.328 -7.710 1.00 0.00 H new ATOM 0 HA ILE C 29 20.325 -5.600 -5.653 1.00 0.00 H new ATOM 0 HB ILE C 29 19.530 -8.526 -5.513 1.00 0.00 H new ATOM 0 HG12 ILE C 29 18.704 -6.246 -3.697 1.00 0.00 H new ATOM 0 HG13 ILE C 29 17.826 -6.608 -5.170 1.00 0.00 H new ATOM 0 HG21 ILE C 29 20.418 -8.481 -3.204 1.00 0.00 H new ATOM 0 HG22 ILE C 29 21.698 -8.198 -4.408 1.00 0.00 H new ATOM 0 HG23 ILE C 29 21.032 -6.833 -3.480 1.00 0.00 H new ATOM 0 HD11 ILE C 29 16.766 -7.664 -3.236 1.00 0.00 H new ATOM 0 HD12 ILE C 29 17.384 -8.897 -4.360 1.00 0.00 H new ATOM 0 HD13 ILE C 29 18.275 -8.530 -2.864 1.00 0.00 H new ATOM 447 N LYS C 30 22.615 -6.328 -6.103 1.00 0.00 N ATOM 448 CA LYS C 30 23.985 -6.600 -6.483 1.00 0.00 C ATOM 449 C LYS C 30 24.606 -7.588 -5.515 1.00 0.00 C ATOM 450 O LYS C 30 25.091 -7.215 -4.446 1.00 0.00 O ATOM 451 CB LYS C 30 24.804 -5.305 -6.533 1.00 0.00 C ATOM 452 CG LYS C 30 24.379 -4.340 -7.638 1.00 0.00 C ATOM 453 CD LYS C 30 25.090 -4.614 -8.964 1.00 0.00 C ATOM 454 CE LYS C 30 24.815 -6.012 -9.498 1.00 0.00 C ATOM 455 NZ LYS C 30 25.432 -6.231 -10.831 1.00 0.00 N ATOM 0 H LYS C 30 22.507 -5.566 -5.434 1.00 0.00 H new ATOM 0 HA LYS C 30 23.988 -7.038 -7.481 1.00 0.00 H new ATOM 0 HB2 LYS C 30 24.721 -4.798 -5.571 1.00 0.00 H new ATOM 0 HB3 LYS C 30 25.855 -5.558 -6.671 1.00 0.00 H new ATOM 0 HG2 LYS C 30 23.302 -4.414 -7.786 1.00 0.00 H new ATOM 0 HG3 LYS C 30 24.588 -3.318 -7.323 1.00 0.00 H new ATOM 0 HD2 LYS C 30 24.771 -3.878 -9.702 1.00 0.00 H new ATOM 0 HD3 LYS C 30 26.164 -4.485 -8.829 1.00 0.00 H new ATOM 0 HE2 LYS C 30 25.200 -6.751 -8.795 1.00 0.00 H new ATOM 0 HE3 LYS C 30 23.738 -6.168 -9.567 1.00 0.00 H new ATOM 0 HZ1 LYS C 30 25.220 -7.195 -11.157 1.00 0.00 H new ATOM 0 HZ2 LYS C 30 25.046 -5.543 -11.509 1.00 0.00 H new ATOM 0 HZ3 LYS C 30 26.462 -6.108 -10.761 1.00 0.00 H new ATOM 469 N TYR C 31 24.550 -8.852 -5.889 1.00 0.00 N ATOM 470 CA TYR C 31 25.108 -9.920 -5.088 1.00 0.00 C ATOM 471 C TYR C 31 26.593 -10.063 -5.370 1.00 0.00 C ATOM 472 O TYR C 31 26.999 -10.435 -6.471 1.00 0.00 O ATOM 473 CB TYR C 31 24.396 -11.243 -5.378 1.00 0.00 C ATOM 474 CG TYR C 31 22.955 -11.286 -4.917 1.00 0.00 C ATOM 475 CD1 TYR C 31 21.914 -11.029 -5.800 1.00 0.00 C ATOM 476 CD2 TYR C 31 22.638 -11.594 -3.600 1.00 0.00 C ATOM 477 CE1 TYR C 31 20.597 -11.076 -5.382 1.00 0.00 C ATOM 478 CE2 TYR C 31 21.325 -11.642 -3.175 1.00 0.00 C ATOM 479 CZ TYR C 31 20.309 -11.382 -4.068 1.00 0.00 C ATOM 480 OH TYR C 31 19.001 -11.432 -3.646 1.00 0.00 O ATOM 0 H TYR C 31 24.116 -9.165 -6.757 1.00 0.00 H new ATOM 0 HA TYR C 31 24.964 -9.670 -4.037 1.00 0.00 H new ATOM 0 HB2 TYR C 31 24.428 -11.433 -6.451 1.00 0.00 H new ATOM 0 HB3 TYR C 31 24.945 -12.051 -4.895 1.00 0.00 H new ATOM 0 HD1 TYR C 31 22.137 -10.789 -6.829 1.00 0.00 H new ATOM 0 HD2 TYR C 31 23.432 -11.799 -2.897 1.00 0.00 H new ATOM 0 HE1 TYR C 31 19.798 -10.874 -6.080 1.00 0.00 H new ATOM 0 HE2 TYR C 31 21.096 -11.882 -2.147 1.00 0.00 H new ATOM 0 HH TYR C 31 18.427 -11.703 -4.392 1.00 0.00 H new ATOM 490 N ALA C 32 27.395 -9.748 -4.376 1.00 0.00 N ATOM 491 CA ALA C 32 28.823 -9.882 -4.470 1.00 0.00 C ATOM 492 C ALA C 32 29.220 -11.276 -4.032 1.00 0.00 C ATOM 493 O ALA C 32 28.722 -11.795 -3.031 1.00 0.00 O ATOM 494 CB ALA C 32 29.506 -8.826 -3.620 1.00 0.00 C ATOM 0 H ALA C 32 27.068 -9.391 -3.478 1.00 0.00 H new ATOM 0 HA ALA C 32 29.140 -9.733 -5.502 1.00 0.00 H new ATOM 0 HB1 ALA C 32 30.587 -8.938 -3.700 1.00 0.00 H new ATOM 0 HB2 ALA C 32 29.217 -7.835 -3.970 1.00 0.00 H new ATOM 0 HB3 ALA C 32 29.205 -8.946 -2.579 1.00 0.00 H new ATOM 500 N ASN C 33 30.107 -11.868 -4.801 1.00 0.00 N ATOM 501 CA ASN C 33 30.507 -13.269 -4.632 1.00 0.00 C ATOM 502 C ASN C 33 31.077 -13.551 -3.241 1.00 0.00 C ATOM 503 O ASN C 33 31.116 -14.704 -2.811 1.00 0.00 O ATOM 504 CB ASN C 33 31.532 -13.681 -5.700 1.00 0.00 C ATOM 505 CG ASN C 33 32.898 -13.046 -5.495 1.00 0.00 C ATOM 506 OD1 ASN C 33 33.734 -13.574 -4.762 1.00 0.00 O ATOM 507 ND2 ASN C 33 33.140 -11.923 -6.151 1.00 0.00 N ATOM 0 H ASN C 33 30.581 -11.396 -5.571 1.00 0.00 H new ATOM 0 HA ASN C 33 29.601 -13.863 -4.749 1.00 0.00 H new ATOM 0 HB2 ASN C 33 31.638 -14.766 -5.693 1.00 0.00 H new ATOM 0 HB3 ASN C 33 31.153 -13.404 -6.684 1.00 0.00 H new ATOM 0 HD21 ASN C 33 34.046 -11.464 -6.059 1.00 0.00 H new ATOM 0 HD22 ASN C 33 32.421 -11.517 -6.749 1.00 0.00 H new ATOM 514 N ASP C 34 31.516 -12.509 -2.541 1.00 0.00 N ATOM 515 CA ASP C 34 32.054 -12.669 -1.190 1.00 0.00 C ATOM 516 C ASP C 34 30.937 -12.991 -0.198 1.00 0.00 C ATOM 517 O ASP C 34 31.188 -13.525 0.884 1.00 0.00 O ATOM 518 CB ASP C 34 32.801 -11.405 -0.741 1.00 0.00 C ATOM 519 CG ASP C 34 31.889 -10.205 -0.557 1.00 0.00 C ATOM 520 OD1 ASP C 34 31.847 -9.341 -1.461 1.00 0.00 O ATOM 521 OD2 ASP C 34 31.215 -10.120 0.491 1.00 0.00 O ATOM 0 H ASP C 34 31.511 -11.548 -2.883 1.00 0.00 H new ATOM 0 HA ASP C 34 32.759 -13.500 -1.211 1.00 0.00 H new ATOM 0 HB2 ASP C 34 33.316 -11.609 0.198 1.00 0.00 H new ATOM 0 HB3 ASP C 34 33.566 -11.162 -1.478 1.00 0.00 H new ATOM 526 N GLY C 35 29.708 -12.670 -0.578 1.00 0.00 N ATOM 527 CA GLY C 35 28.573 -12.919 0.284 1.00 0.00 C ATOM 528 C GLY C 35 27.714 -11.687 0.449 1.00 0.00 C ATOM 529 O GLY C 35 26.487 -11.757 0.358 1.00 0.00 O ATOM 0 H GLY C 35 29.477 -12.239 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY C 35 27.972 -13.728 -0.131 1.00 0.00 H new ATOM 0 HA3 GLY C 35 28.924 -13.251 1.261 1.00 0.00 H new ATOM 533 N SER C 36 28.367 -10.557 0.680 1.00 0.00 N ATOM 534 CA SER C 36 27.684 -9.280 0.845 1.00 0.00 C ATOM 535 C SER C 36 26.899 -8.922 -0.414 1.00 0.00 C ATOM 536 O SER C 36 27.179 -9.427 -1.502 1.00 0.00 O ATOM 537 CB SER C 36 28.716 -8.193 1.131 1.00 0.00 C ATOM 538 OG SER C 36 29.715 -8.665 2.021 1.00 0.00 O ATOM 0 H SER C 36 29.382 -10.498 0.758 1.00 0.00 H new ATOM 0 HA SER C 36 26.985 -9.359 1.677 1.00 0.00 H new ATOM 0 HB2 SER C 36 29.178 -7.870 0.198 1.00 0.00 H new ATOM 0 HB3 SER C 36 28.222 -7.321 1.561 1.00 0.00 H new ATOM 0 HG SER C 36 30.465 -9.030 1.507 1.00 0.00 H new ATOM 544 N ALA C 37 25.916 -8.059 -0.257 1.00 0.00 N ATOM 545 CA ALA C 37 25.120 -7.607 -1.378 1.00 0.00 C ATOM 546 C ALA C 37 24.726 -6.160 -1.168 1.00 0.00 C ATOM 547 O ALA C 37 25.113 -5.561 -0.171 1.00 0.00 O ATOM 548 CB ALA C 37 23.887 -8.483 -1.548 1.00 0.00 C ATOM 0 H ALA C 37 25.649 -7.655 0.641 1.00 0.00 H new ATOM 0 HA ALA C 37 25.712 -7.684 -2.290 1.00 0.00 H new ATOM 0 HB1 ALA C 37 23.302 -8.127 -2.396 1.00 0.00 H new ATOM 0 HB2 ALA C 37 24.195 -9.513 -1.727 1.00 0.00 H new ATOM 0 HB3 ALA C 37 23.280 -8.437 -0.644 1.00 0.00 H new ATOM 554 N ASN C 38 24.005 -5.592 -2.124 1.00 0.00 N ATOM 555 CA ASN C 38 23.445 -4.261 -1.986 1.00 0.00 C ATOM 556 C ASN C 38 22.335 -4.046 -3.000 1.00 0.00 C ATOM 557 O ASN C 38 22.514 -4.281 -4.194 1.00 0.00 O ATOM 558 CB ASN C 38 24.525 -3.183 -2.103 1.00 0.00 C ATOM 559 CG ASN C 38 25.751 -3.605 -2.907 1.00 0.00 C ATOM 560 OD1 ASN C 38 25.721 -3.380 -4.210 1.00 0.00 O flip ATOM 561 ND2 ASN C 38 26.725 -4.123 -2.355 1.00 0.00 N flip ATOM 0 H ASN C 38 23.794 -6.042 -3.015 1.00 0.00 H new ATOM 0 HA ASN C 38 23.016 -4.176 -0.988 1.00 0.00 H new ATOM 0 HB2 ASN C 38 24.089 -2.298 -2.566 1.00 0.00 H new ATOM 0 HB3 ASN C 38 24.844 -2.895 -1.101 1.00 0.00 H new ATOM 0 HD21 ASN C 38 26.715 -4.282 -1.348 1.00 0.00 H new ATOM 0 HD22 ASN C 38 27.540 -4.392 -2.906 1.00 0.00 H new ATOM 568 N ALA C 39 21.176 -3.616 -2.509 1.00 0.00 N ATOM 569 CA ALA C 39 19.975 -3.531 -3.344 1.00 0.00 C ATOM 570 C ALA C 39 19.810 -2.161 -3.991 1.00 0.00 C ATOM 571 O ALA C 39 19.865 -1.141 -3.315 1.00 0.00 O ATOM 572 CB ALA C 39 18.740 -3.867 -2.522 1.00 0.00 C ATOM 0 H ALA C 39 21.040 -3.322 -1.542 1.00 0.00 H new ATOM 0 HA ALA C 39 20.093 -4.258 -4.148 1.00 0.00 H new ATOM 0 HB1 ALA C 39 17.854 -3.800 -3.153 1.00 0.00 H new ATOM 0 HB2 ALA C 39 18.830 -4.879 -2.128 1.00 0.00 H new ATOM 0 HB3 ALA C 39 18.650 -3.162 -1.695 1.00 0.00 H new ATOM 578 N GLU C 40 19.593 -2.154 -5.301 1.00 0.00 N ATOM 579 CA GLU C 40 19.363 -0.917 -6.046 1.00 0.00 C ATOM 580 C GLU C 40 17.871 -0.603 -6.102 1.00 0.00 C ATOM 581 O GLU C 40 17.061 -1.470 -6.441 1.00 0.00 O ATOM 582 CB GLU C 40 19.925 -1.022 -7.470 1.00 0.00 C ATOM 583 CG GLU C 40 19.677 0.224 -8.307 1.00 0.00 C ATOM 584 CD GLU C 40 20.161 0.085 -9.734 1.00 0.00 C ATOM 585 OE1 GLU C 40 20.063 -1.022 -10.299 1.00 0.00 O ATOM 586 OE2 GLU C 40 20.617 1.092 -10.311 1.00 0.00 O ATOM 0 H GLU C 40 19.571 -2.997 -5.875 1.00 0.00 H new ATOM 0 HA GLU C 40 19.881 -0.110 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU C 40 20.998 -1.208 -7.417 1.00 0.00 H new ATOM 0 HB3 GLU C 40 19.476 -1.881 -7.968 1.00 0.00 H new ATOM 0 HG2 GLU C 40 18.610 0.445 -8.311 1.00 0.00 H new ATOM 0 HG3 GLU C 40 20.177 1.073 -7.841 1.00 0.00 H new ATOM 593 N PHE C 41 17.506 0.627 -5.762 1.00 0.00 N ATOM 594 CA PHE C 41 16.115 1.048 -5.820 1.00 0.00 C ATOM 595 C PHE C 41 15.915 2.057 -6.946 1.00 0.00 C ATOM 596 O PHE C 41 16.815 2.842 -7.253 1.00 0.00 O ATOM 597 CB PHE C 41 15.692 1.657 -4.482 1.00 0.00 C ATOM 598 CG PHE C 41 15.913 0.744 -3.308 1.00 0.00 C ATOM 599 CD1 PHE C 41 15.058 -0.320 -3.069 1.00 0.00 C ATOM 600 CD2 PHE C 41 16.977 0.951 -2.446 1.00 0.00 C ATOM 601 CE1 PHE C 41 15.262 -1.160 -1.992 1.00 0.00 C ATOM 602 CE2 PHE C 41 17.185 0.114 -1.366 1.00 0.00 C ATOM 603 CZ PHE C 41 16.327 -0.942 -1.139 1.00 0.00 C ATOM 0 H PHE C 41 18.154 1.348 -5.444 1.00 0.00 H new ATOM 0 HA PHE C 41 15.493 0.175 -6.020 1.00 0.00 H new ATOM 0 HB2 PHE C 41 16.246 2.582 -4.322 1.00 0.00 H new ATOM 0 HB3 PHE C 41 14.636 1.923 -4.531 1.00 0.00 H new ATOM 0 HD1 PHE C 41 14.223 -0.494 -3.732 1.00 0.00 H new ATOM 0 HD2 PHE C 41 17.652 1.776 -2.620 1.00 0.00 H new ATOM 0 HE1 PHE C 41 14.590 -1.987 -1.817 1.00 0.00 H new ATOM 0 HE2 PHE C 41 18.018 0.286 -0.701 1.00 0.00 H new ATOM 0 HZ PHE C 41 16.487 -1.597 -0.296 1.00 0.00 H new ATOM 613 N ASP C 42 14.743 2.025 -7.568 1.00 0.00 N ATOM 614 CA ASP C 42 14.430 2.941 -8.666 1.00 0.00 C ATOM 615 C ASP C 42 14.066 4.314 -8.128 1.00 0.00 C ATOM 616 O ASP C 42 12.897 4.609 -7.873 1.00 0.00 O ATOM 617 CB ASP C 42 13.276 2.415 -9.534 1.00 0.00 C ATOM 618 CG ASP C 42 13.640 1.182 -10.336 1.00 0.00 C ATOM 619 OD1 ASP C 42 14.528 1.277 -11.208 1.00 0.00 O ATOM 620 OD2 ASP C 42 13.016 0.118 -10.120 1.00 0.00 O ATOM 0 H ASP C 42 13.992 1.376 -7.334 1.00 0.00 H new ATOM 0 HA ASP C 42 15.323 3.015 -9.286 1.00 0.00 H new ATOM 0 HB2 ASP C 42 12.425 2.184 -8.893 1.00 0.00 H new ATOM 0 HB3 ASP C 42 12.957 3.202 -10.217 1.00 0.00 H new ATOM 625 N GLY C 43 15.072 5.146 -7.958 1.00 0.00 N ATOM 626 CA GLY C 43 14.854 6.488 -7.472 1.00 0.00 C ATOM 627 C GLY C 43 16.104 7.081 -6.861 1.00 0.00 C ATOM 628 O GLY C 43 17.217 6.746 -7.275 1.00 0.00 O ATOM 0 H GLY C 43 16.047 4.915 -8.149 1.00 0.00 H new ATOM 0 HA2 GLY C 43 14.517 7.120 -8.293 1.00 0.00 H new ATOM 0 HA3 GLY C 43 14.057 6.479 -6.729 1.00 0.00 H new ATOM 632 N PRO C 44 15.954 7.952 -5.852 1.00 0.00 N ATOM 633 CA PRO C 44 17.077 8.606 -5.178 1.00 0.00 C ATOM 634 C PRO C 44 17.748 7.698 -4.146 1.00 0.00 C ATOM 635 O PRO C 44 18.350 8.171 -3.178 1.00 0.00 O ATOM 636 CB PRO C 44 16.432 9.817 -4.480 1.00 0.00 C ATOM 637 CG PRO C 44 14.981 9.791 -4.847 1.00 0.00 C ATOM 638 CD PRO C 44 14.676 8.390 -5.290 1.00 0.00 C ATOM 0 HA PRO C 44 17.865 8.873 -5.882 1.00 0.00 H new ATOM 0 HB2 PRO C 44 16.561 9.757 -3.399 1.00 0.00 H new ATOM 0 HB3 PRO C 44 16.899 10.747 -4.805 1.00 0.00 H new ATOM 0 HG2 PRO C 44 14.361 10.072 -3.996 1.00 0.00 H new ATOM 0 HG3 PRO C 44 14.770 10.504 -5.644 1.00 0.00 H new ATOM 0 HD2 PRO C 44 14.361 7.760 -4.458 1.00 0.00 H new ATOM 0 HD3 PRO C 44 13.876 8.363 -6.030 1.00 0.00 H new ATOM 646 N TYR C 45 17.637 6.394 -4.354 1.00 0.00 N ATOM 647 CA TYR C 45 18.229 5.415 -3.457 1.00 0.00 C ATOM 648 C TYR C 45 19.045 4.408 -4.256 1.00 0.00 C ATOM 649 O TYR C 45 18.522 3.723 -5.134 1.00 0.00 O ATOM 650 CB TYR C 45 17.145 4.705 -2.638 1.00 0.00 C ATOM 651 CG TYR C 45 16.418 5.618 -1.674 1.00 0.00 C ATOM 652 CD1 TYR C 45 15.272 6.303 -2.061 1.00 0.00 C ATOM 653 CD2 TYR C 45 16.883 5.801 -0.378 1.00 0.00 C ATOM 654 CE1 TYR C 45 14.611 7.145 -1.186 1.00 0.00 C ATOM 655 CE2 TYR C 45 16.228 6.640 0.504 1.00 0.00 C ATOM 656 CZ TYR C 45 15.093 7.309 0.095 1.00 0.00 C ATOM 657 OH TYR C 45 14.442 8.147 0.971 1.00 0.00 O ATOM 0 H TYR C 45 17.137 5.988 -5.145 1.00 0.00 H new ATOM 0 HA TYR C 45 18.891 5.931 -2.762 1.00 0.00 H new ATOM 0 HB2 TYR C 45 16.420 4.259 -3.319 1.00 0.00 H new ATOM 0 HB3 TYR C 45 17.601 3.888 -2.078 1.00 0.00 H new ATOM 0 HD1 TYR C 45 14.891 6.175 -3.063 1.00 0.00 H new ATOM 0 HD2 TYR C 45 17.771 5.279 -0.054 1.00 0.00 H new ATOM 0 HE1 TYR C 45 13.723 7.671 -1.504 1.00 0.00 H new ATOM 0 HE2 TYR C 45 16.603 6.771 1.508 1.00 0.00 H new ATOM 0 HH TYR C 45 14.911 8.149 1.832 1.00 0.00 H new ATOM 667 N ALA C 46 20.329 4.341 -3.951 1.00 0.00 N ATOM 668 CA ALA C 46 21.266 3.516 -4.700 1.00 0.00 C ATOM 669 C ALA C 46 21.296 2.081 -4.178 1.00 0.00 C ATOM 670 O ALA C 46 20.338 1.618 -3.563 1.00 0.00 O ATOM 671 CB ALA C 46 22.657 4.141 -4.660 1.00 0.00 C ATOM 0 H ALA C 46 20.753 4.855 -3.179 1.00 0.00 H new ATOM 0 HA ALA C 46 20.928 3.473 -5.735 1.00 0.00 H new ATOM 0 HB1 ALA C 46 23.352 3.518 -5.223 1.00 0.00 H new ATOM 0 HB2 ALA C 46 22.622 5.136 -5.103 1.00 0.00 H new ATOM 0 HB3 ALA C 46 22.993 4.216 -3.626 1.00 0.00 H new ATOM 677 N ASP C 47 22.361 1.363 -4.508 1.00 0.00 N ATOM 678 CA ASP C 47 22.619 0.044 -3.939 1.00 0.00 C ATOM 679 C ASP C 47 23.139 0.181 -2.514 1.00 0.00 C ATOM 680 O ASP C 47 24.091 0.918 -2.259 1.00 0.00 O ATOM 681 CB ASP C 47 23.628 -0.710 -4.808 1.00 0.00 C ATOM 682 CG ASP C 47 24.944 0.030 -4.950 1.00 0.00 C ATOM 683 OD1 ASP C 47 25.927 -0.354 -4.284 1.00 0.00 O ATOM 684 OD2 ASP C 47 25.002 1.001 -5.731 1.00 0.00 O ATOM 0 H ASP C 47 23.068 1.675 -5.174 1.00 0.00 H new ATOM 0 HA ASP C 47 21.688 -0.522 -3.914 1.00 0.00 H new ATOM 0 HB2 ASP C 47 23.813 -1.692 -4.374 1.00 0.00 H new ATOM 0 HB3 ASP C 47 23.199 -0.874 -5.797 1.00 0.00 H new ATOM 689 N GLN C 48 22.495 -0.505 -1.577 1.00 0.00 N ATOM 690 CA GLN C 48 22.861 -0.399 -0.183 1.00 0.00 C ATOM 691 C GLN C 48 22.562 -1.681 0.599 1.00 0.00 C ATOM 692 O GLN C 48 21.407 -2.014 0.849 1.00 0.00 O ATOM 693 CB GLN C 48 22.138 0.795 0.440 1.00 0.00 C ATOM 694 CG GLN C 48 20.645 0.842 0.146 1.00 0.00 C ATOM 695 CD GLN C 48 20.133 2.261 0.021 1.00 0.00 C ATOM 696 OE1 GLN C 48 19.726 2.884 1.002 1.00 0.00 O ATOM 697 NE2 GLN C 48 20.136 2.771 -1.198 1.00 0.00 N ATOM 0 H GLN C 48 21.718 -1.139 -1.764 1.00 0.00 H new ATOM 0 HA GLN C 48 23.939 -0.248 -0.129 1.00 0.00 H new ATOM 0 HB2 GLN C 48 22.284 0.771 1.520 1.00 0.00 H new ATOM 0 HB3 GLN C 48 22.598 1.714 0.077 1.00 0.00 H new ATOM 0 HG2 GLN C 48 20.441 0.301 -0.778 1.00 0.00 H new ATOM 0 HG3 GLN C 48 20.103 0.330 0.941 1.00 0.00 H new ATOM 0 HE21 GLN C 48 20.483 2.218 -1.981 1.00 0.00 H new ATOM 0 HE22 GLN C 48 19.791 3.718 -1.355 1.00 0.00 H new ATOM 706 N TYR C 49 23.622 -2.425 0.899 1.00 0.00 N ATOM 707 CA TYR C 49 23.620 -3.451 1.942 1.00 0.00 C ATOM 708 C TYR C 49 25.056 -3.637 2.430 1.00 0.00 C ATOM 709 O TYR C 49 25.913 -2.808 2.117 1.00 0.00 O ATOM 710 CB TYR C 49 22.999 -4.791 1.516 1.00 0.00 C ATOM 711 CG TYR C 49 21.490 -4.839 1.637 1.00 0.00 C ATOM 712 CD1 TYR C 49 20.865 -4.459 2.819 1.00 0.00 C ATOM 713 CD2 TYR C 49 20.691 -5.267 0.583 1.00 0.00 C ATOM 714 CE1 TYR C 49 19.493 -4.499 2.947 1.00 0.00 C ATOM 715 CE2 TYR C 49 19.313 -5.311 0.707 1.00 0.00 C ATOM 716 CZ TYR C 49 18.721 -4.924 1.892 1.00 0.00 C ATOM 717 OH TYR C 49 17.350 -4.960 2.021 1.00 0.00 O ATOM 0 H TYR C 49 24.518 -2.333 0.420 1.00 0.00 H new ATOM 0 HA TYR C 49 22.975 -3.100 2.747 1.00 0.00 H new ATOM 0 HB2 TYR C 49 23.277 -4.996 0.482 1.00 0.00 H new ATOM 0 HB3 TYR C 49 23.427 -5.588 2.125 1.00 0.00 H new ATOM 0 HD1 TYR C 49 21.466 -4.126 3.653 1.00 0.00 H new ATOM 0 HD2 TYR C 49 21.152 -5.569 -0.346 1.00 0.00 H new ATOM 0 HE1 TYR C 49 19.026 -4.197 3.873 1.00 0.00 H new ATOM 0 HE2 TYR C 49 18.704 -5.647 -0.120 1.00 0.00 H new ATOM 0 HH TYR C 49 17.040 -5.887 1.956 1.00 0.00 H new ATOM 727 N MET C 50 25.343 -4.701 3.177 1.00 0.00 N ATOM 728 CA MET C 50 26.649 -4.820 3.818 1.00 0.00 C ATOM 729 C MET C 50 26.986 -6.258 4.187 1.00 0.00 C ATOM 730 O MET C 50 27.905 -6.846 3.631 1.00 0.00 O ATOM 731 CB MET C 50 26.708 -3.933 5.067 1.00 0.00 C ATOM 732 CG MET C 50 28.062 -3.938 5.761 1.00 0.00 C ATOM 733 SD MET C 50 29.410 -3.402 4.684 1.00 0.00 S ATOM 734 CE MET C 50 28.861 -1.754 4.238 1.00 0.00 C ATOM 0 H MET C 50 24.704 -5.477 3.351 1.00 0.00 H new ATOM 0 HA MET C 50 27.393 -4.487 3.094 1.00 0.00 H new ATOM 0 HB2 MET C 50 26.458 -2.910 4.787 1.00 0.00 H new ATOM 0 HB3 MET C 50 25.947 -4.265 5.773 1.00 0.00 H new ATOM 0 HG2 MET C 50 28.020 -3.285 6.633 1.00 0.00 H new ATOM 0 HG3 MET C 50 28.273 -4.943 6.126 1.00 0.00 H new ATOM 0 HE1 MET C 50 29.692 -1.199 3.803 1.00 0.00 H new ATOM 0 HE2 MET C 50 28.052 -1.824 3.511 1.00 0.00 H new ATOM 0 HE3 MET C 50 28.505 -1.236 5.128 1.00 0.00 H new ATOM 744 N SER C 51 26.255 -6.818 5.128 1.00 0.00 N ATOM 745 CA SER C 51 26.560 -8.151 5.628 1.00 0.00 C ATOM 746 C SER C 51 25.589 -9.191 5.074 1.00 0.00 C ATOM 747 O SER C 51 24.377 -8.988 5.058 1.00 0.00 O ATOM 748 CB SER C 51 26.542 -8.132 7.155 1.00 0.00 C ATOM 749 OG SER C 51 25.699 -7.098 7.641 1.00 0.00 O ATOM 0 H SER C 51 25.446 -6.376 5.564 1.00 0.00 H new ATOM 0 HA SER C 51 27.555 -8.437 5.287 1.00 0.00 H new ATOM 0 HB2 SER C 51 26.196 -9.095 7.530 1.00 0.00 H new ATOM 0 HB3 SER C 51 27.554 -7.988 7.532 1.00 0.00 H new ATOM 0 HG SER C 51 25.914 -6.915 8.579 1.00 0.00 H new ATOM 755 N ALA C 52 26.154 -10.310 4.624 1.00 0.00 N ATOM 756 CA ALA C 52 25.410 -11.363 3.942 1.00 0.00 C ATOM 757 C ALA C 52 24.337 -11.981 4.820 1.00 0.00 C ATOM 758 O ALA C 52 23.246 -12.286 4.342 1.00 0.00 O ATOM 759 CB ALA C 52 26.361 -12.441 3.456 1.00 0.00 C ATOM 0 H ALA C 52 27.149 -10.511 4.724 1.00 0.00 H new ATOM 0 HA ALA C 52 24.907 -10.900 3.093 1.00 0.00 H new ATOM 0 HB1 ALA C 52 25.796 -13.223 2.948 1.00 0.00 H new ATOM 0 HB2 ALA C 52 27.081 -12.006 2.763 1.00 0.00 H new ATOM 0 HB3 ALA C 52 26.890 -12.870 4.307 1.00 0.00 H new ATOM 765 N GLN C 53 24.647 -12.175 6.093 1.00 0.00 N ATOM 766 CA GLN C 53 23.674 -12.711 7.031 1.00 0.00 C ATOM 767 C GLN C 53 22.539 -11.720 7.218 1.00 0.00 C ATOM 768 O GLN C 53 21.382 -12.095 7.429 1.00 0.00 O ATOM 769 CB GLN C 53 24.334 -13.021 8.372 1.00 0.00 C ATOM 770 CG GLN C 53 25.303 -14.184 8.311 1.00 0.00 C ATOM 771 CD GLN C 53 25.927 -14.485 9.654 1.00 0.00 C ATOM 772 OE1 GLN C 53 26.989 -13.964 9.989 1.00 0.00 O ATOM 773 NE2 GLN C 53 25.270 -15.322 10.433 1.00 0.00 N ATOM 0 H GLN C 53 25.560 -11.970 6.498 1.00 0.00 H new ATOM 0 HA GLN C 53 23.272 -13.640 6.626 1.00 0.00 H new ATOM 0 HB2 GLN C 53 24.863 -12.135 8.722 1.00 0.00 H new ATOM 0 HB3 GLN C 53 23.560 -13.241 9.107 1.00 0.00 H new ATOM 0 HG2 GLN C 53 24.781 -15.070 7.949 1.00 0.00 H new ATOM 0 HG3 GLN C 53 26.089 -13.961 7.590 1.00 0.00 H new ATOM 0 HE21 GLN C 53 24.392 -15.732 10.115 1.00 0.00 H new ATOM 0 HE22 GLN C 53 25.640 -15.560 11.353 1.00 0.00 H new ATOM 782 N THR C 54 22.874 -10.449 7.098 1.00 0.00 N ATOM 783 CA THR C 54 21.889 -9.401 7.220 1.00 0.00 C ATOM 784 C THR C 54 21.041 -9.347 5.954 1.00 0.00 C ATOM 785 O THR C 54 19.826 -9.168 6.008 1.00 0.00 O ATOM 786 CB THR C 54 22.556 -8.038 7.471 1.00 0.00 C ATOM 787 OG1 THR C 54 23.467 -8.150 8.574 1.00 0.00 O ATOM 788 CG2 THR C 54 21.520 -6.966 7.773 1.00 0.00 C ATOM 0 H THR C 54 23.823 -10.121 6.916 1.00 0.00 H new ATOM 0 HA THR C 54 21.252 -9.624 8.076 1.00 0.00 H new ATOM 0 HB THR C 54 23.094 -7.747 6.569 1.00 0.00 H new ATOM 0 HG1 THR C 54 24.338 -7.781 8.318 1.00 0.00 H new ATOM 0 HG21 THR C 54 22.022 -6.014 7.946 1.00 0.00 H new ATOM 0 HG22 THR C 54 20.839 -6.869 6.927 1.00 0.00 H new ATOM 0 HG23 THR C 54 20.956 -7.246 8.663 1.00 0.00 H new ATOM 796 N VAL C 55 21.689 -9.561 4.815 1.00 0.00 N ATOM 797 CA VAL C 55 21.005 -9.545 3.532 1.00 0.00 C ATOM 798 C VAL C 55 20.100 -10.763 3.404 1.00 0.00 C ATOM 799 O VAL C 55 19.147 -10.758 2.644 1.00 0.00 O ATOM 800 CB VAL C 55 22.022 -9.516 2.352 1.00 0.00 C ATOM 801 CG1 VAL C 55 21.349 -9.672 0.981 1.00 0.00 C ATOM 802 CG2 VAL C 55 22.838 -8.236 2.390 1.00 0.00 C ATOM 0 H VAL C 55 22.690 -9.748 4.756 1.00 0.00 H new ATOM 0 HA VAL C 55 20.400 -8.639 3.485 1.00 0.00 H new ATOM 0 HB VAL C 55 22.680 -10.375 2.484 1.00 0.00 H new ATOM 0 HG11 VAL C 55 22.107 -9.644 0.198 1.00 0.00 H new ATOM 0 HG12 VAL C 55 20.821 -10.625 0.941 1.00 0.00 H new ATOM 0 HG13 VAL C 55 20.640 -8.858 0.829 1.00 0.00 H new ATOM 0 HG21 VAL C 55 23.544 -8.230 1.560 1.00 0.00 H new ATOM 0 HG22 VAL C 55 22.172 -7.377 2.306 1.00 0.00 H new ATOM 0 HG23 VAL C 55 23.385 -8.181 3.331 1.00 0.00 H new ATOM 812 N ALA C 56 20.396 -11.799 4.169 1.00 0.00 N ATOM 813 CA ALA C 56 19.595 -13.009 4.147 1.00 0.00 C ATOM 814 C ALA C 56 18.216 -12.749 4.729 1.00 0.00 C ATOM 815 O ALA C 56 17.218 -13.283 4.244 1.00 0.00 O ATOM 816 CB ALA C 56 20.294 -14.130 4.901 1.00 0.00 C ATOM 0 H ALA C 56 21.186 -11.826 4.814 1.00 0.00 H new ATOM 0 HA ALA C 56 19.475 -13.320 3.109 1.00 0.00 H new ATOM 0 HB1 ALA C 56 19.677 -15.028 4.872 1.00 0.00 H new ATOM 0 HB2 ALA C 56 21.257 -14.337 4.435 1.00 0.00 H new ATOM 0 HB3 ALA C 56 20.450 -13.830 5.937 1.00 0.00 H new ATOM 822 N VAL C 57 18.151 -11.910 5.754 1.00 0.00 N ATOM 823 CA VAL C 57 16.861 -11.592 6.362 1.00 0.00 C ATOM 824 C VAL C 57 16.250 -10.381 5.674 1.00 0.00 C ATOM 825 O VAL C 57 15.031 -10.243 5.596 1.00 0.00 O ATOM 826 CB VAL C 57 16.955 -11.298 7.873 1.00 0.00 C ATOM 827 CG1 VAL C 57 15.616 -11.552 8.546 1.00 0.00 C ATOM 828 CG2 VAL C 57 18.061 -12.113 8.529 1.00 0.00 C ATOM 0 H VAL C 57 18.955 -11.445 6.176 1.00 0.00 H new ATOM 0 HA VAL C 57 16.237 -12.477 6.234 1.00 0.00 H new ATOM 0 HB VAL C 57 17.209 -10.245 7.998 1.00 0.00 H new ATOM 0 HG11 VAL C 57 15.699 -11.340 9.612 1.00 0.00 H new ATOM 0 HG12 VAL C 57 14.858 -10.904 8.105 1.00 0.00 H new ATOM 0 HG13 VAL C 57 15.329 -12.594 8.404 1.00 0.00 H new ATOM 0 HG21 VAL C 57 18.101 -11.882 9.594 1.00 0.00 H new ATOM 0 HG22 VAL C 57 17.858 -13.176 8.395 1.00 0.00 H new ATOM 0 HG23 VAL C 57 19.017 -11.866 8.068 1.00 0.00 H new ATOM 838 N PHE C 58 17.108 -9.511 5.165 1.00 0.00 N ATOM 839 CA PHE C 58 16.656 -8.304 4.488 1.00 0.00 C ATOM 840 C PHE C 58 16.501 -8.544 2.992 1.00 0.00 C ATOM 841 O PHE C 58 16.316 -7.602 2.220 1.00 0.00 O ATOM 842 CB PHE C 58 17.625 -7.144 4.736 1.00 0.00 C ATOM 843 CG PHE C 58 17.460 -6.491 6.080 1.00 0.00 C ATOM 844 CD1 PHE C 58 16.886 -5.234 6.184 1.00 0.00 C ATOM 845 CD2 PHE C 58 17.870 -7.130 7.239 1.00 0.00 C ATOM 846 CE1 PHE C 58 16.726 -4.628 7.414 1.00 0.00 C ATOM 847 CE2 PHE C 58 17.714 -6.529 8.472 1.00 0.00 C ATOM 848 CZ PHE C 58 17.140 -5.277 8.560 1.00 0.00 C ATOM 0 H PHE C 58 18.122 -9.617 5.207 1.00 0.00 H new ATOM 0 HA PHE C 58 15.682 -8.039 4.899 1.00 0.00 H new ATOM 0 HB2 PHE C 58 18.647 -7.511 4.644 1.00 0.00 H new ATOM 0 HB3 PHE C 58 17.485 -6.393 3.958 1.00 0.00 H new ATOM 0 HD1 PHE C 58 16.560 -4.722 5.291 1.00 0.00 H new ATOM 0 HD2 PHE C 58 18.317 -8.111 7.177 1.00 0.00 H new ATOM 0 HE1 PHE C 58 16.278 -3.648 7.480 1.00 0.00 H new ATOM 0 HE2 PHE C 58 18.041 -7.038 9.367 1.00 0.00 H new ATOM 0 HZ PHE C 58 17.015 -4.806 9.524 1.00 0.00 H new ATOM 858 N LYS C 59 16.597 -9.806 2.589 1.00 0.00 N ATOM 859 CA LYS C 59 16.419 -10.186 1.198 1.00 0.00 C ATOM 860 C LYS C 59 14.956 -10.051 0.783 1.00 0.00 C ATOM 861 O LYS C 59 14.090 -10.771 1.282 1.00 0.00 O ATOM 862 CB LYS C 59 16.897 -11.621 0.983 1.00 0.00 C ATOM 863 CG LYS C 59 16.744 -12.095 -0.446 1.00 0.00 C ATOM 864 CD LYS C 59 17.230 -13.522 -0.613 1.00 0.00 C ATOM 865 CE LYS C 59 17.080 -13.985 -2.051 1.00 0.00 C ATOM 866 NZ LYS C 59 17.508 -15.396 -2.229 1.00 0.00 N ATOM 0 H LYS C 59 16.799 -10.587 3.214 1.00 0.00 H new ATOM 0 HA LYS C 59 17.014 -9.515 0.578 1.00 0.00 H new ATOM 0 HB2 LYS C 59 17.945 -11.695 1.273 1.00 0.00 H new ATOM 0 HB3 LYS C 59 16.337 -12.286 1.641 1.00 0.00 H new ATOM 0 HG2 LYS C 59 15.697 -12.029 -0.742 1.00 0.00 H new ATOM 0 HG3 LYS C 59 17.305 -11.438 -1.110 1.00 0.00 H new ATOM 0 HD2 LYS C 59 18.275 -13.591 -0.313 1.00 0.00 H new ATOM 0 HD3 LYS C 59 16.665 -14.181 0.046 1.00 0.00 H new ATOM 0 HE2 LYS C 59 16.040 -13.880 -2.359 1.00 0.00 H new ATOM 0 HE3 LYS C 59 17.672 -13.342 -2.702 1.00 0.00 H new ATOM 0 HZ1 LYS C 59 17.389 -15.672 -3.225 1.00 0.00 H new ATOM 0 HZ2 LYS C 59 18.508 -15.492 -1.960 1.00 0.00 H new ATOM 0 HZ3 LYS C 59 16.927 -16.014 -1.627 1.00 0.00 H new ATOM 880 N PRO C 60 14.662 -9.113 -0.124 1.00 0.00 N ATOM 881 CA PRO C 60 13.332 -8.876 -0.635 1.00 0.00 C ATOM 882 C PRO C 60 13.134 -9.501 -2.019 1.00 0.00 C ATOM 883 O PRO C 60 13.705 -10.551 -2.328 1.00 0.00 O ATOM 884 CB PRO C 60 13.326 -7.350 -0.713 1.00 0.00 C ATOM 885 CG PRO C 60 14.740 -6.972 -1.046 1.00 0.00 C ATOM 886 CD PRO C 60 15.606 -8.172 -0.733 1.00 0.00 C ATOM 0 HA PRO C 60 12.536 -9.307 -0.028 1.00 0.00 H new ATOM 0 HB2 PRO C 60 12.633 -6.997 -1.476 1.00 0.00 H new ATOM 0 HB3 PRO C 60 13.012 -6.908 0.232 1.00 0.00 H new ATOM 0 HG2 PRO C 60 14.828 -6.697 -2.097 1.00 0.00 H new ATOM 0 HG3 PRO C 60 15.055 -6.107 -0.463 1.00 0.00 H new ATOM 0 HD2 PRO C 60 16.063 -8.585 -1.632 1.00 0.00 H new ATOM 0 HD3 PRO C 60 16.417 -7.917 -0.051 1.00 0.00 H new ATOM 894 N GLU C 61 12.330 -8.853 -2.846 1.00 0.00 N ATOM 895 CA GLU C 61 12.061 -9.330 -4.194 1.00 0.00 C ATOM 896 C GLU C 61 12.263 -8.204 -5.196 1.00 0.00 C ATOM 897 O GLU C 61 11.755 -7.098 -5.007 1.00 0.00 O ATOM 898 CB GLU C 61 10.633 -9.869 -4.305 1.00 0.00 C ATOM 899 CG GLU C 61 10.348 -11.055 -3.401 1.00 0.00 C ATOM 900 CD GLU C 61 9.040 -11.736 -3.738 1.00 0.00 C ATOM 901 OE1 GLU C 61 9.030 -12.590 -4.649 1.00 0.00 O ATOM 902 OE2 GLU C 61 8.015 -11.423 -3.099 1.00 0.00 O ATOM 0 H GLU C 61 11.848 -7.987 -2.605 1.00 0.00 H new ATOM 0 HA GLU C 61 12.757 -10.140 -4.415 1.00 0.00 H new ATOM 0 HB2 GLU C 61 9.934 -9.068 -4.067 1.00 0.00 H new ATOM 0 HB3 GLU C 61 10.445 -10.160 -5.339 1.00 0.00 H new ATOM 0 HG2 GLU C 61 11.162 -11.776 -3.484 1.00 0.00 H new ATOM 0 HG3 GLU C 61 10.324 -10.720 -2.364 1.00 0.00 H new ATOM 909 N VAL C 62 12.999 -8.486 -6.259 1.00 0.00 N ATOM 910 CA VAL C 62 13.286 -7.495 -7.267 1.00 0.00 C ATOM 911 C VAL C 62 12.090 -7.335 -8.191 1.00 0.00 C ATOM 912 O VAL C 62 11.606 -8.285 -8.811 1.00 0.00 O ATOM 913 CB VAL C 62 14.558 -7.829 -8.077 1.00 0.00 C ATOM 914 CG1 VAL C 62 15.771 -7.876 -7.161 1.00 0.00 C ATOM 915 CG2 VAL C 62 14.405 -9.141 -8.824 1.00 0.00 C ATOM 0 H VAL C 62 13.408 -9.402 -6.441 1.00 0.00 H new ATOM 0 HA VAL C 62 13.478 -6.552 -6.755 1.00 0.00 H new ATOM 0 HB VAL C 62 14.705 -7.040 -8.814 1.00 0.00 H new ATOM 0 HG11 VAL C 62 16.660 -8.112 -7.746 1.00 0.00 H new ATOM 0 HG12 VAL C 62 15.901 -6.907 -6.679 1.00 0.00 H new ATOM 0 HG13 VAL C 62 15.623 -8.642 -6.400 1.00 0.00 H new ATOM 0 HG21 VAL C 62 15.316 -9.349 -9.385 1.00 0.00 H new ATOM 0 HG22 VAL C 62 14.225 -9.946 -8.112 1.00 0.00 H new ATOM 0 HG23 VAL C 62 13.563 -9.071 -9.513 1.00 0.00 H new ATOM 925 N GLY C 63 11.603 -6.129 -8.228 1.00 0.00 N ATOM 926 CA GLY C 63 10.417 -5.810 -8.994 1.00 0.00 C ATOM 927 C GLY C 63 9.301 -5.307 -8.104 1.00 0.00 C ATOM 928 O GLY C 63 8.399 -4.598 -8.559 1.00 0.00 O ATOM 0 H GLY C 63 12.010 -5.336 -7.732 1.00 0.00 H new ATOM 0 HA2 GLY C 63 10.657 -5.053 -9.741 1.00 0.00 H new ATOM 0 HA3 GLY C 63 10.082 -6.696 -9.534 1.00 0.00 H new ATOM 932 N GLY C 64 9.369 -5.669 -6.827 1.00 0.00 N ATOM 933 CA GLY C 64 8.369 -5.239 -5.880 1.00 0.00 C ATOM 934 C GLY C 64 8.724 -3.921 -5.233 1.00 0.00 C ATOM 935 O GLY C 64 9.561 -3.168 -5.739 1.00 0.00 O ATOM 0 H GLY C 64 10.105 -6.256 -6.434 1.00 0.00 H new ATOM 0 HA2 GLY C 64 7.408 -5.146 -6.386 1.00 0.00 H new ATOM 0 HA3 GLY C 64 8.251 -6.000 -5.109 1.00 0.00 H new ATOM 939 N TYR C 65 8.107 -3.654 -4.100 1.00 0.00 N ATOM 940 CA TYR C 65 8.277 -2.383 -3.415 1.00 0.00 C ATOM 941 C TYR C 65 8.719 -2.583 -1.975 1.00 0.00 C ATOM 942 O TYR C 65 8.137 -3.384 -1.243 1.00 0.00 O ATOM 943 CB TYR C 65 6.969 -1.594 -3.428 1.00 0.00 C ATOM 944 CG TYR C 65 6.566 -1.083 -4.791 1.00 0.00 C ATOM 945 CD1 TYR C 65 7.058 0.124 -5.268 1.00 0.00 C ATOM 946 CD2 TYR C 65 5.689 -1.800 -5.595 1.00 0.00 C ATOM 947 CE1 TYR C 65 6.688 0.603 -6.506 1.00 0.00 C ATOM 948 CE2 TYR C 65 5.316 -1.327 -6.838 1.00 0.00 C ATOM 949 CZ TYR C 65 5.818 -0.125 -7.287 1.00 0.00 C ATOM 950 OH TYR C 65 5.447 0.353 -8.523 1.00 0.00 O ATOM 0 H TYR C 65 7.478 -4.304 -3.629 1.00 0.00 H new ATOM 0 HA TYR C 65 9.051 -1.828 -3.946 1.00 0.00 H new ATOM 0 HB2 TYR C 65 6.172 -2.228 -3.040 1.00 0.00 H new ATOM 0 HB3 TYR C 65 7.062 -0.747 -2.748 1.00 0.00 H new ATOM 0 HD1 TYR C 65 7.742 0.697 -4.659 1.00 0.00 H new ATOM 0 HD2 TYR C 65 5.293 -2.741 -5.243 1.00 0.00 H new ATOM 0 HE1 TYR C 65 7.078 1.545 -6.862 1.00 0.00 H new ATOM 0 HE2 TYR C 65 4.635 -1.896 -7.454 1.00 0.00 H new ATOM 0 HH TYR C 65 4.830 -0.280 -8.947 1.00 0.00 H new ATOM 960 N LEU C 66 9.758 -1.865 -1.582 1.00 0.00 N ATOM 961 CA LEU C 66 10.128 -1.763 -0.183 1.00 0.00 C ATOM 962 C LEU C 66 9.330 -0.602 0.407 1.00 0.00 C ATOM 963 O LEU C 66 8.666 0.121 -0.338 1.00 0.00 O ATOM 964 CB LEU C 66 11.634 -1.511 -0.038 1.00 0.00 C ATOM 965 CG LEU C 66 12.258 -1.975 1.283 1.00 0.00 C ATOM 966 CD1 LEU C 66 12.384 -3.490 1.312 1.00 0.00 C ATOM 967 CD2 LEU C 66 13.616 -1.324 1.494 1.00 0.00 C ATOM 0 H LEU C 66 10.362 -1.342 -2.217 1.00 0.00 H new ATOM 0 HA LEU C 66 9.906 -2.692 0.343 1.00 0.00 H new ATOM 0 HB2 LEU C 66 12.149 -2.012 -0.858 1.00 0.00 H new ATOM 0 HB3 LEU C 66 11.818 -0.443 -0.151 1.00 0.00 H new ATOM 0 HG LEU C 66 11.601 -1.668 2.097 1.00 0.00 H new ATOM 0 HD11 LEU C 66 12.829 -3.800 2.257 1.00 0.00 H new ATOM 0 HD12 LEU C 66 11.396 -3.939 1.211 1.00 0.00 H new ATOM 0 HD13 LEU C 66 13.017 -3.818 0.488 1.00 0.00 H new ATOM 0 HD21 LEU C 66 14.041 -1.667 2.437 1.00 0.00 H new ATOM 0 HD22 LEU C 66 14.282 -1.597 0.675 1.00 0.00 H new ATOM 0 HD23 LEU C 66 13.500 -0.241 1.521 1.00 0.00 H new ATOM 979 N PHE C 67 9.381 -0.402 1.710 1.00 0.00 N ATOM 980 CA PHE C 67 8.619 0.675 2.324 1.00 0.00 C ATOM 981 C PHE C 67 9.206 1.054 3.670 1.00 0.00 C ATOM 982 O PHE C 67 9.907 0.255 4.290 1.00 0.00 O ATOM 983 CB PHE C 67 7.138 0.290 2.458 1.00 0.00 C ATOM 984 CG PHE C 67 6.835 -0.786 3.460 1.00 0.00 C ATOM 985 CD1 PHE C 67 6.652 -2.088 3.044 1.00 0.00 C ATOM 986 CD2 PHE C 67 6.705 -0.489 4.807 1.00 0.00 C ATOM 987 CE1 PHE C 67 6.348 -3.083 3.956 1.00 0.00 C ATOM 988 CE2 PHE C 67 6.406 -1.476 5.723 1.00 0.00 C ATOM 989 CZ PHE C 67 6.226 -2.775 5.297 1.00 0.00 C ATOM 0 H PHE C 67 9.934 -0.962 2.359 1.00 0.00 H new ATOM 0 HA PHE C 67 8.682 1.547 1.673 1.00 0.00 H new ATOM 0 HB2 PHE C 67 6.572 1.182 2.727 1.00 0.00 H new ATOM 0 HB3 PHE C 67 6.776 -0.035 1.482 1.00 0.00 H new ATOM 0 HD1 PHE C 67 6.747 -2.333 1.997 1.00 0.00 H new ATOM 0 HD2 PHE C 67 6.839 0.528 5.144 1.00 0.00 H new ATOM 0 HE1 PHE C 67 6.206 -4.099 3.620 1.00 0.00 H new ATOM 0 HE2 PHE C 67 6.313 -1.232 6.771 1.00 0.00 H new ATOM 0 HZ PHE C 67 5.990 -3.550 6.011 1.00 0.00 H new ATOM 999 N ARG C 68 8.914 2.270 4.122 1.00 0.00 N ATOM 1000 CA ARG C 68 9.443 2.757 5.380 1.00 0.00 C ATOM 1001 C ARG C 68 8.454 3.714 6.011 1.00 0.00 C ATOM 1002 O ARG C 68 8.154 4.774 5.452 1.00 0.00 O ATOM 1003 CB ARG C 68 10.795 3.443 5.172 1.00 0.00 C ATOM 1004 CG ARG C 68 11.424 3.956 6.458 1.00 0.00 C ATOM 1005 CD ARG C 68 12.838 4.462 6.220 1.00 0.00 C ATOM 1006 NE ARG C 68 13.454 4.967 7.446 1.00 0.00 N ATOM 1007 CZ ARG C 68 14.768 5.077 7.629 1.00 0.00 C ATOM 1008 NH1 ARG C 68 15.614 4.701 6.678 1.00 0.00 N ATOM 1009 NH2 ARG C 68 15.237 5.562 8.772 1.00 0.00 N ATOM 0 H ARG C 68 8.313 2.932 3.631 1.00 0.00 H new ATOM 0 HA ARG C 68 9.596 1.910 6.048 1.00 0.00 H new ATOM 0 HB2 ARG C 68 11.480 2.740 4.698 1.00 0.00 H new ATOM 0 HB3 ARG C 68 10.667 4.277 4.482 1.00 0.00 H new ATOM 0 HG2 ARG C 68 10.813 4.760 6.869 1.00 0.00 H new ATOM 0 HG3 ARG C 68 11.442 3.158 7.200 1.00 0.00 H new ATOM 0 HD2 ARG C 68 13.448 3.655 5.814 1.00 0.00 H new ATOM 0 HD3 ARG C 68 12.818 5.254 5.472 1.00 0.00 H new ATOM 0 HE ARG C 68 12.839 5.253 8.208 1.00 0.00 H new ATOM 0 HH11 ARG C 68 15.259 4.325 5.799 1.00 0.00 H new ATOM 0 HH12 ARG C 68 16.619 4.789 6.826 1.00 0.00 H new ATOM 0 HH21 ARG C 68 14.591 5.849 9.507 1.00 0.00 H new ATOM 0 HH22 ARG C 68 16.243 5.647 8.915 1.00 0.00 H new ATOM 1023 N SER C 69 7.918 3.324 7.151 1.00 0.00 N ATOM 1024 CA SER C 69 6.943 4.143 7.837 1.00 0.00 C ATOM 1025 C SER C 69 7.617 4.996 8.894 1.00 0.00 C ATOM 1026 O SER C 69 8.819 4.869 9.147 1.00 0.00 O ATOM 1027 CB SER C 69 5.866 3.272 8.482 1.00 0.00 C ATOM 1028 OG SER C 69 6.431 2.353 9.404 1.00 0.00 O ATOM 0 H SER C 69 8.142 2.446 7.620 1.00 0.00 H new ATOM 0 HA SER C 69 6.472 4.796 7.103 1.00 0.00 H new ATOM 0 HB2 SER C 69 5.141 3.905 8.994 1.00 0.00 H new ATOM 0 HB3 SER C 69 5.324 2.728 7.709 1.00 0.00 H new ATOM 0 HG SER C 69 5.735 1.743 9.727 1.00 0.00 H new ATOM 1034 N GLN C 70 6.828 5.845 9.523 1.00 0.00 N ATOM 1035 CA GLN C 70 7.317 6.714 10.586 1.00 0.00 C ATOM 1036 C GLN C 70 7.523 5.906 11.859 1.00 0.00 C ATOM 1037 O GLN C 70 8.075 6.396 12.841 1.00 0.00 O ATOM 1038 CB GLN C 70 6.335 7.860 10.853 1.00 0.00 C ATOM 1039 CG GLN C 70 6.283 8.928 9.763 1.00 0.00 C ATOM 1040 CD GLN C 70 5.815 8.395 8.422 1.00 0.00 C ATOM 1041 OE1 GLN C 70 6.620 8.010 7.573 1.00 0.00 O ATOM 1042 NE2 GLN C 70 4.509 8.343 8.235 1.00 0.00 N ATOM 0 H GLN C 70 5.835 5.955 9.316 1.00 0.00 H new ATOM 0 HA GLN C 70 8.267 7.143 10.268 1.00 0.00 H new ATOM 0 HB2 GLN C 70 5.336 7.442 10.980 1.00 0.00 H new ATOM 0 HB3 GLN C 70 6.603 8.337 11.796 1.00 0.00 H new ATOM 0 HG2 GLN C 70 5.616 9.729 10.081 1.00 0.00 H new ATOM 0 HG3 GLN C 70 7.274 9.366 9.646 1.00 0.00 H new ATOM 0 HE21 GLN C 70 3.876 8.672 8.964 1.00 0.00 H new ATOM 0 HE22 GLN C 70 4.133 7.974 7.362 1.00 0.00 H new ATOM 1051 N TYR C 71 7.069 4.660 11.823 1.00 0.00 N ATOM 1052 CA TYR C 71 7.195 3.758 12.955 1.00 0.00 C ATOM 1053 C TYR C 71 8.505 2.984 12.864 1.00 0.00 C ATOM 1054 O TYR C 71 8.867 2.245 13.779 1.00 0.00 O ATOM 1055 CB TYR C 71 6.023 2.776 12.986 1.00 0.00 C ATOM 1056 CG TYR C 71 4.669 3.425 12.799 1.00 0.00 C ATOM 1057 CD1 TYR C 71 4.029 3.386 11.567 1.00 0.00 C ATOM 1058 CD2 TYR C 71 4.031 4.073 13.846 1.00 0.00 C ATOM 1059 CE1 TYR C 71 2.795 3.972 11.384 1.00 0.00 C ATOM 1060 CE2 TYR C 71 2.793 4.663 13.671 1.00 0.00 C ATOM 1061 CZ TYR C 71 2.181 4.609 12.438 1.00 0.00 C ATOM 1062 OH TYR C 71 0.949 5.198 12.255 1.00 0.00 O ATOM 0 H TYR C 71 6.606 4.250 11.012 1.00 0.00 H new ATOM 0 HA TYR C 71 7.188 4.350 13.870 1.00 0.00 H new ATOM 0 HB2 TYR C 71 6.167 2.030 12.205 1.00 0.00 H new ATOM 0 HB3 TYR C 71 6.032 2.246 13.939 1.00 0.00 H new ATOM 0 HD1 TYR C 71 4.507 2.887 10.737 1.00 0.00 H new ATOM 0 HD2 TYR C 71 4.509 4.117 14.814 1.00 0.00 H new ATOM 0 HE1 TYR C 71 2.313 3.931 10.419 1.00 0.00 H new ATOM 0 HE2 TYR C 71 2.308 5.163 14.496 1.00 0.00 H new ATOM 0 HH TYR C 71 0.652 5.604 13.096 1.00 0.00 H new ATOM 1072 N GLY C 72 9.201 3.144 11.745 1.00 0.00 N ATOM 1073 CA GLY C 72 10.468 2.468 11.557 1.00 0.00 C ATOM 1074 C GLY C 72 10.322 1.124 10.871 1.00 0.00 C ATOM 1075 O GLY C 72 11.251 0.315 10.880 1.00 0.00 O ATOM 0 H GLY C 72 8.909 3.731 10.964 1.00 0.00 H new ATOM 0 HA2 GLY C 72 11.129 3.102 10.966 1.00 0.00 H new ATOM 0 HA3 GLY C 72 10.946 2.326 12.526 1.00 0.00 H new ATOM 1079 N GLU C 73 9.158 0.878 10.283 1.00 0.00 N ATOM 1080 CA GLU C 73 8.915 -0.365 9.560 1.00 0.00 C ATOM 1081 C GLU C 73 9.569 -0.313 8.186 1.00 0.00 C ATOM 1082 O GLU C 73 9.280 0.577 7.389 1.00 0.00 O ATOM 1083 CB GLU C 73 7.415 -0.607 9.410 1.00 0.00 C ATOM 1084 CG GLU C 73 6.677 -0.697 10.733 1.00 0.00 C ATOM 1085 CD GLU C 73 5.180 -0.603 10.561 1.00 0.00 C ATOM 1086 OE1 GLU C 73 4.664 0.533 10.504 1.00 0.00 O ATOM 1087 OE2 GLU C 73 4.513 -1.654 10.479 1.00 0.00 O ATOM 0 H GLU C 73 8.367 1.522 10.292 1.00 0.00 H new ATOM 0 HA GLU C 73 9.351 -1.186 10.129 1.00 0.00 H new ATOM 0 HB2 GLU C 73 6.983 0.199 8.817 1.00 0.00 H new ATOM 0 HB3 GLU C 73 7.259 -1.531 8.853 1.00 0.00 H new ATOM 0 HG2 GLU C 73 6.926 -1.639 11.222 1.00 0.00 H new ATOM 0 HG3 GLU C 73 7.016 0.103 11.391 1.00 0.00 H new ATOM 1094 N LEU C 74 10.459 -1.260 7.929 1.00 0.00 N ATOM 1095 CA LEU C 74 11.195 -1.314 6.674 1.00 0.00 C ATOM 1096 C LEU C 74 11.144 -2.722 6.079 1.00 0.00 C ATOM 1097 O LEU C 74 12.033 -3.541 6.320 1.00 0.00 O ATOM 1098 CB LEU C 74 12.649 -0.895 6.912 1.00 0.00 C ATOM 1099 CG LEU C 74 13.504 -0.741 5.653 1.00 0.00 C ATOM 1100 CD1 LEU C 74 13.028 0.442 4.825 1.00 0.00 C ATOM 1101 CD2 LEU C 74 14.969 -0.582 6.024 1.00 0.00 C ATOM 0 H LEU C 74 10.691 -2.009 8.581 1.00 0.00 H new ATOM 0 HA LEU C 74 10.733 -0.626 5.966 1.00 0.00 H new ATOM 0 HB2 LEU C 74 12.652 0.053 7.451 1.00 0.00 H new ATOM 0 HB3 LEU C 74 13.120 -1.633 7.562 1.00 0.00 H new ATOM 0 HG LEU C 74 13.398 -1.643 5.050 1.00 0.00 H new ATOM 0 HD11 LEU C 74 13.648 0.535 3.934 1.00 0.00 H new ATOM 0 HD12 LEU C 74 11.990 0.286 4.530 1.00 0.00 H new ATOM 0 HD13 LEU C 74 13.104 1.354 5.417 1.00 0.00 H new ATOM 0 HD21 LEU C 74 15.564 -0.474 5.117 1.00 0.00 H new ATOM 0 HD22 LEU C 74 15.092 0.304 6.647 1.00 0.00 H new ATOM 0 HD23 LEU C 74 15.303 -1.462 6.574 1.00 0.00 H new ATOM 1113 N LEU C 75 10.103 -3.000 5.306 1.00 0.00 N ATOM 1114 CA LEU C 75 9.911 -4.325 4.719 1.00 0.00 C ATOM 1115 C LEU C 75 9.530 -4.199 3.246 1.00 0.00 C ATOM 1116 O LEU C 75 9.531 -3.100 2.695 1.00 0.00 O ATOM 1117 CB LEU C 75 8.820 -5.091 5.475 1.00 0.00 C ATOM 1118 CG LEU C 75 9.106 -5.371 6.951 1.00 0.00 C ATOM 1119 CD1 LEU C 75 7.913 -6.053 7.598 1.00 0.00 C ATOM 1120 CD2 LEU C 75 10.353 -6.229 7.104 1.00 0.00 C ATOM 0 H LEU C 75 9.375 -2.326 5.069 1.00 0.00 H new ATOM 0 HA LEU C 75 10.848 -4.877 4.798 1.00 0.00 H new ATOM 0 HB2 LEU C 75 7.891 -4.526 5.405 1.00 0.00 H new ATOM 0 HB3 LEU C 75 8.653 -6.042 4.970 1.00 0.00 H new ATOM 0 HG LEU C 75 9.281 -4.420 7.454 1.00 0.00 H new ATOM 0 HD11 LEU C 75 8.130 -6.247 8.648 1.00 0.00 H new ATOM 0 HD12 LEU C 75 7.039 -5.407 7.521 1.00 0.00 H new ATOM 0 HD13 LEU C 75 7.713 -6.996 7.089 1.00 0.00 H new ATOM 0 HD21 LEU C 75 10.538 -6.416 8.162 1.00 0.00 H new ATOM 0 HD22 LEU C 75 10.207 -7.178 6.588 1.00 0.00 H new ATOM 0 HD23 LEU C 75 11.208 -5.709 6.672 1.00 0.00 H new ATOM 1132 N TYR C 76 9.203 -5.323 2.613 1.00 0.00 N ATOM 1133 CA TYR C 76 8.831 -5.321 1.202 1.00 0.00 C ATOM 1134 C TYR C 76 7.432 -5.901 1.017 1.00 0.00 C ATOM 1135 O TYR C 76 6.979 -6.709 1.829 1.00 0.00 O ATOM 1136 CB TYR C 76 9.843 -6.123 0.368 1.00 0.00 C ATOM 1137 CG TYR C 76 9.730 -7.627 0.529 1.00 0.00 C ATOM 1138 CD1 TYR C 76 8.863 -8.360 -0.272 1.00 0.00 C ATOM 1139 CD2 TYR C 76 10.480 -8.310 1.478 1.00 0.00 C ATOM 1140 CE1 TYR C 76 8.741 -9.727 -0.131 1.00 0.00 C ATOM 1141 CE2 TYR C 76 10.366 -9.679 1.624 1.00 0.00 C ATOM 1142 CZ TYR C 76 9.494 -10.383 0.818 1.00 0.00 C ATOM 1143 OH TYR C 76 9.376 -11.747 0.964 1.00 0.00 O ATOM 0 H TYR C 76 9.188 -6.243 3.053 1.00 0.00 H new ATOM 0 HA TYR C 76 8.835 -4.288 0.855 1.00 0.00 H new ATOM 0 HB2 TYR C 76 9.710 -5.871 -0.684 1.00 0.00 H new ATOM 0 HB3 TYR C 76 10.851 -5.814 0.645 1.00 0.00 H new ATOM 0 HD1 TYR C 76 8.273 -7.850 -1.019 1.00 0.00 H new ATOM 0 HD2 TYR C 76 11.162 -7.763 2.111 1.00 0.00 H new ATOM 0 HE1 TYR C 76 8.059 -10.279 -0.761 1.00 0.00 H new ATOM 0 HE2 TYR C 76 10.957 -10.196 2.366 1.00 0.00 H new ATOM 0 HH TYR C 76 9.976 -12.053 1.675 1.00 0.00 H new ATOM 1153 N MET C 77 6.760 -5.492 -0.051 1.00 0.00 N ATOM 1154 CA MET C 77 5.433 -6.007 -0.374 1.00 0.00 C ATOM 1155 C MET C 77 5.248 -6.109 -1.884 1.00 0.00 C ATOM 1156 O MET C 77 5.971 -5.475 -2.656 1.00 0.00 O ATOM 1157 CB MET C 77 4.343 -5.106 0.208 1.00 0.00 C ATOM 1158 CG MET C 77 4.253 -5.134 1.726 1.00 0.00 C ATOM 1159 SD MET C 77 2.910 -4.108 2.356 1.00 0.00 S ATOM 1160 CE MET C 77 3.298 -2.548 1.570 1.00 0.00 C ATOM 0 H MET C 77 7.113 -4.801 -0.713 1.00 0.00 H new ATOM 0 HA MET C 77 5.348 -7.000 0.067 1.00 0.00 H new ATOM 0 HB2 MET C 77 4.525 -4.081 -0.115 1.00 0.00 H new ATOM 0 HB3 MET C 77 3.381 -5.405 -0.207 1.00 0.00 H new ATOM 0 HG2 MET C 77 4.108 -6.162 2.059 1.00 0.00 H new ATOM 0 HG3 MET C 77 5.197 -4.791 2.149 1.00 0.00 H new ATOM 0 HE1 MET C 77 3.382 -1.769 2.328 1.00 0.00 H new ATOM 0 HE2 MET C 77 4.243 -2.636 1.034 1.00 0.00 H new ATOM 0 HE3 MET C 77 2.506 -2.287 0.868 1.00 0.00 H new ATOM 1170 N SER C 78 4.271 -6.911 -2.295 1.00 0.00 N ATOM 1171 CA SER C 78 3.964 -7.094 -3.711 1.00 0.00 C ATOM 1172 C SER C 78 2.613 -6.463 -4.073 1.00 0.00 C ATOM 1173 O SER C 78 2.554 -5.299 -4.475 1.00 0.00 O ATOM 1174 CB SER C 78 3.980 -8.584 -4.068 1.00 0.00 C ATOM 1175 OG SER C 78 3.195 -9.339 -3.155 1.00 0.00 O ATOM 0 H SER C 78 3.675 -7.447 -1.665 1.00 0.00 H new ATOM 0 HA SER C 78 4.732 -6.586 -4.294 1.00 0.00 H new ATOM 0 HB2 SER C 78 3.599 -8.722 -5.080 1.00 0.00 H new ATOM 0 HB3 SER C 78 5.006 -8.952 -4.060 1.00 0.00 H new ATOM 0 HG SER C 78 3.221 -10.286 -3.407 1.00 0.00 H new ATOM 1181 N LYS C 79 1.530 -7.217 -3.914 1.00 0.00 N ATOM 1182 CA LYS C 79 0.195 -6.691 -4.187 1.00 0.00 C ATOM 1183 C LYS C 79 -0.269 -5.815 -3.041 1.00 0.00 C ATOM 1184 O LYS C 79 -1.018 -4.855 -3.240 1.00 0.00 O ATOM 1185 CB LYS C 79 -0.828 -7.804 -4.406 1.00 0.00 C ATOM 1186 CG LYS C 79 -0.774 -8.904 -3.356 1.00 0.00 C ATOM 1187 CD LYS C 79 -2.004 -9.795 -3.400 1.00 0.00 C ATOM 1188 CE LYS C 79 -3.241 -9.057 -2.918 1.00 0.00 C ATOM 1189 NZ LYS C 79 -4.419 -9.955 -2.810 1.00 0.00 N ATOM 0 H LYS C 79 1.548 -8.187 -3.600 1.00 0.00 H new ATOM 0 HA LYS C 79 0.266 -6.106 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS C 79 -1.828 -7.370 -4.412 1.00 0.00 H new ATOM 0 HB3 LYS C 79 -0.666 -8.245 -5.389 1.00 0.00 H new ATOM 0 HG2 LYS C 79 0.118 -9.510 -3.512 1.00 0.00 H new ATOM 0 HG3 LYS C 79 -0.686 -8.456 -2.366 1.00 0.00 H new ATOM 0 HD2 LYS C 79 -2.163 -10.148 -4.419 1.00 0.00 H new ATOM 0 HD3 LYS C 79 -1.839 -10.676 -2.780 1.00 0.00 H new ATOM 0 HE2 LYS C 79 -3.039 -8.606 -1.946 1.00 0.00 H new ATOM 0 HE3 LYS C 79 -3.468 -8.243 -3.606 1.00 0.00 H new ATOM 0 HZ1 LYS C 79 -5.241 -9.411 -2.478 1.00 0.00 H new ATOM 0 HZ2 LYS C 79 -4.629 -10.366 -3.742 1.00 0.00 H new ATOM 0 HZ3 LYS C 79 -4.213 -10.718 -2.134 1.00 0.00 H new ATOM 1203 N THR C 80 0.180 -6.151 -1.840 1.00 0.00 N ATOM 1204 CA THR C 80 -0.118 -5.358 -0.668 1.00 0.00 C ATOM 1205 C THR C 80 0.539 -3.989 -0.778 1.00 0.00 C ATOM 1206 O THR C 80 0.152 -3.049 -0.093 1.00 0.00 O ATOM 1207 CB THR C 80 0.351 -6.075 0.606 1.00 0.00 C ATOM 1208 OG1 THR C 80 1.628 -6.683 0.374 1.00 0.00 O ATOM 1209 CG2 THR C 80 -0.653 -7.135 1.034 1.00 0.00 C ATOM 0 H THR C 80 0.755 -6.973 -1.657 1.00 0.00 H new ATOM 0 HA THR C 80 -1.198 -5.225 -0.607 1.00 0.00 H new ATOM 0 HB THR C 80 0.435 -5.339 1.406 1.00 0.00 H new ATOM 0 HG1 THR C 80 1.926 -7.139 1.189 1.00 0.00 H new ATOM 0 HG21 THR C 80 -0.298 -7.628 1.939 1.00 0.00 H new ATOM 0 HG22 THR C 80 -1.616 -6.665 1.232 1.00 0.00 H new ATOM 0 HG23 THR C 80 -0.765 -7.872 0.239 1.00 0.00 H new ATOM 1217 N ALA C 81 1.528 -3.888 -1.663 1.00 0.00 N ATOM 1218 CA ALA C 81 2.158 -2.614 -1.966 1.00 0.00 C ATOM 1219 C ALA C 81 1.191 -1.733 -2.741 1.00 0.00 C ATOM 1220 O ALA C 81 0.963 -0.582 -2.383 1.00 0.00 O ATOM 1221 CB ALA C 81 3.441 -2.821 -2.752 1.00 0.00 C ATOM 0 H ALA C 81 1.909 -4.679 -2.182 1.00 0.00 H new ATOM 0 HA ALA C 81 2.415 -2.118 -1.030 1.00 0.00 H new ATOM 0 HB1 ALA C 81 3.896 -1.854 -2.968 1.00 0.00 H new ATOM 0 HB2 ALA C 81 4.134 -3.425 -2.166 1.00 0.00 H new ATOM 0 HB3 ALA C 81 3.216 -3.333 -3.688 1.00 0.00 H new ATOM 1227 N PHE C 82 0.606 -2.283 -3.795 1.00 0.00 N ATOM 1228 CA PHE C 82 -0.392 -1.557 -4.563 1.00 0.00 C ATOM 1229 C PHE C 82 -1.606 -1.255 -3.699 1.00 0.00 C ATOM 1230 O PHE C 82 -2.061 -0.122 -3.650 1.00 0.00 O ATOM 1231 CB PHE C 82 -0.804 -2.339 -5.812 1.00 0.00 C ATOM 1232 CG PHE C 82 -1.886 -1.663 -6.609 1.00 0.00 C ATOM 1233 CD1 PHE C 82 -3.137 -2.245 -6.738 1.00 0.00 C ATOM 1234 CD2 PHE C 82 -1.655 -0.439 -7.218 1.00 0.00 C ATOM 1235 CE1 PHE C 82 -4.135 -1.621 -7.457 1.00 0.00 C ATOM 1236 CE2 PHE C 82 -2.651 0.189 -7.941 1.00 0.00 C ATOM 1237 CZ PHE C 82 -3.893 -0.403 -8.060 1.00 0.00 C ATOM 0 H PHE C 82 0.804 -3.224 -4.136 1.00 0.00 H new ATOM 0 HA PHE C 82 0.050 -0.615 -4.888 1.00 0.00 H new ATOM 0 HB2 PHE C 82 0.070 -2.482 -6.447 1.00 0.00 H new ATOM 0 HB3 PHE C 82 -1.147 -3.330 -5.515 1.00 0.00 H new ATOM 0 HD1 PHE C 82 -3.333 -3.198 -6.270 1.00 0.00 H new ATOM 0 HD2 PHE C 82 -0.686 0.029 -7.126 1.00 0.00 H new ATOM 0 HE1 PHE C 82 -5.106 -2.085 -7.548 1.00 0.00 H new ATOM 0 HE2 PHE C 82 -2.459 1.141 -8.412 1.00 0.00 H new ATOM 0 HZ PHE C 82 -4.674 0.086 -8.624 1.00 0.00 H new ATOM 1247 N GLU C 83 -2.103 -2.259 -2.991 1.00 0.00 N ATOM 1248 CA GLU C 83 -3.249 -2.080 -2.100 1.00 0.00 C ATOM 1249 C GLU C 83 -2.960 -1.058 -1.012 1.00 0.00 C ATOM 1250 O GLU C 83 -3.870 -0.457 -0.464 1.00 0.00 O ATOM 1251 CB GLU C 83 -3.636 -3.426 -1.499 1.00 0.00 C ATOM 1252 CG GLU C 83 -4.979 -3.432 -0.799 1.00 0.00 C ATOM 1253 CD GLU C 83 -5.391 -4.823 -0.376 1.00 0.00 C ATOM 1254 OE1 GLU C 83 -4.960 -5.271 0.707 1.00 0.00 O ATOM 1255 OE2 GLU C 83 -6.139 -5.479 -1.129 1.00 0.00 O ATOM 0 H GLU C 83 -1.732 -3.209 -3.014 1.00 0.00 H new ATOM 0 HA GLU C 83 -4.085 -1.693 -2.682 1.00 0.00 H new ATOM 0 HB2 GLU C 83 -3.649 -4.174 -2.291 1.00 0.00 H new ATOM 0 HB3 GLU C 83 -2.867 -3.728 -0.788 1.00 0.00 H new ATOM 0 HG2 GLU C 83 -4.934 -2.785 0.077 1.00 0.00 H new ATOM 0 HG3 GLU C 83 -5.736 -3.016 -1.464 1.00 0.00 H new ATOM 1262 N ALA C 84 -1.704 -0.802 -0.753 1.00 0.00 N ATOM 1263 CA ALA C 84 -1.335 0.166 0.249 1.00 0.00 C ATOM 1264 C ALA C 84 -1.135 1.504 -0.425 1.00 0.00 C ATOM 1265 O ALA C 84 -1.251 2.544 0.203 1.00 0.00 O ATOM 1266 CB ALA C 84 -0.091 -0.268 1.006 1.00 0.00 C ATOM 0 H ALA C 84 -0.918 -1.251 -1.223 1.00 0.00 H new ATOM 0 HA ALA C 84 -2.133 0.249 0.987 1.00 0.00 H new ATOM 0 HB1 ALA C 84 0.160 0.484 1.754 1.00 0.00 H new ATOM 0 HB2 ALA C 84 -0.279 -1.222 1.499 1.00 0.00 H new ATOM 0 HB3 ALA C 84 0.739 -0.378 0.309 1.00 0.00 H new ATOM 1272 N ASN C 85 -0.924 1.462 -1.739 1.00 0.00 N ATOM 1273 CA ASN C 85 -0.688 2.666 -2.523 1.00 0.00 C ATOM 1274 C ASN C 85 -1.955 3.492 -2.587 1.00 0.00 C ATOM 1275 O ASN C 85 -1.920 4.676 -2.913 1.00 0.00 O ATOM 1276 CB ASN C 85 -0.220 2.316 -3.941 1.00 0.00 C ATOM 1277 CG ASN C 85 1.265 2.554 -4.156 1.00 0.00 C ATOM 1278 OD1 ASN C 85 1.678 3.606 -4.643 1.00 0.00 O ATOM 1279 ND2 ASN C 85 2.081 1.577 -3.792 1.00 0.00 N ATOM 0 H ASN C 85 -0.912 0.600 -2.283 1.00 0.00 H new ATOM 0 HA ASN C 85 0.099 3.244 -2.037 1.00 0.00 H new ATOM 0 HB2 ASN C 85 -0.447 1.269 -4.144 1.00 0.00 H new ATOM 0 HB3 ASN C 85 -0.785 2.910 -4.660 1.00 0.00 H new ATOM 0 HD21 ASN C 85 3.088 1.683 -3.912 1.00 0.00 H new ATOM 0 HD22 ASN C 85 1.702 0.719 -3.392 1.00 0.00 H new ATOM 1286 N TYR C 86 -3.083 2.866 -2.275 1.00 0.00 N ATOM 1287 CA TYR C 86 -4.331 3.621 -2.223 1.00 0.00 C ATOM 1288 C TYR C 86 -5.156 3.369 -0.969 1.00 0.00 C ATOM 1289 O TYR C 86 -6.087 4.128 -0.703 1.00 0.00 O ATOM 1290 CB TYR C 86 -5.205 3.384 -3.462 1.00 0.00 C ATOM 1291 CG TYR C 86 -5.584 1.942 -3.726 1.00 0.00 C ATOM 1292 CD1 TYR C 86 -4.633 1.012 -4.094 1.00 0.00 C ATOM 1293 CD2 TYR C 86 -6.903 1.519 -3.622 1.00 0.00 C ATOM 1294 CE1 TYR C 86 -4.973 -0.300 -4.349 1.00 0.00 C ATOM 1295 CE2 TYR C 86 -7.256 0.206 -3.872 1.00 0.00 C ATOM 1296 CZ TYR C 86 -6.286 -0.701 -4.236 1.00 0.00 C ATOM 1297 OH TYR C 86 -6.630 -2.008 -4.494 1.00 0.00 O ATOM 0 H TYR C 86 -3.162 1.872 -2.061 1.00 0.00 H new ATOM 0 HA TYR C 86 -4.012 4.663 -2.199 1.00 0.00 H new ATOM 0 HB2 TYR C 86 -6.119 3.968 -3.357 1.00 0.00 H new ATOM 0 HB3 TYR C 86 -4.679 3.769 -4.335 1.00 0.00 H new ATOM 0 HD1 TYR C 86 -3.601 1.318 -4.184 1.00 0.00 H new ATOM 0 HD2 TYR C 86 -7.667 2.229 -3.341 1.00 0.00 H new ATOM 0 HE1 TYR C 86 -4.212 -1.011 -4.636 1.00 0.00 H new ATOM 0 HE2 TYR C 86 -8.286 -0.106 -3.782 1.00 0.00 H new ATOM 0 HH TYR C 86 -7.595 -2.124 -4.367 1.00 0.00 H new ATOM 1307 N THR C 87 -4.834 2.353 -0.172 1.00 0.00 N ATOM 1308 CA THR C 87 -5.740 2.016 0.942 1.00 0.00 C ATOM 1309 C THR C 87 -5.020 1.477 2.179 1.00 0.00 C ATOM 1310 O THR C 87 -5.263 1.948 3.291 1.00 0.00 O ATOM 1311 CB THR C 87 -6.871 1.025 0.542 1.00 0.00 C ATOM 1312 OG1 THR C 87 -6.342 -0.154 -0.072 1.00 0.00 O ATOM 1313 CG2 THR C 87 -7.866 1.675 -0.400 1.00 0.00 C ATOM 0 H THR C 87 -4.001 1.771 -0.260 1.00 0.00 H new ATOM 0 HA THR C 87 -6.191 2.974 1.198 1.00 0.00 H new ATOM 0 HB THR C 87 -7.382 0.745 1.463 1.00 0.00 H new ATOM 0 HG1 THR C 87 -5.393 -0.244 0.157 1.00 0.00 H new ATOM 0 HG21 THR C 87 -8.643 0.957 -0.660 1.00 0.00 H new ATOM 0 HG22 THR C 87 -8.319 2.538 0.088 1.00 0.00 H new ATOM 0 HG23 THR C 87 -7.352 1.998 -1.305 1.00 0.00 H new